# generated using pymatgen
data_Li2Ca(SiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63827127
_cell_length_b   10.63827127
_cell_length_c   10.63827127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ca(SiN2)2
_chemical_formula_sum   'Li24 Ca12 Si24 N48'
_cell_volume   1203.96311289
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.38628266  0.72182278  0.95236371  1
  Li  Li1  1  0.61371734  0.22182278  0.54763629  1
  Li  Li2  1  0.11371734  0.27817722  0.45236371  1
  Li  Li3  1  0.88628266  0.77817722  0.04763629  1
  Li  Li4  1  0.95236371  0.38628266  0.72182278  1
  Li  Li5  1  0.54763629  0.61371734  0.22182278  1
  Li  Li6  1  0.45236371  0.11371734  0.27817722  1
  Li  Li7  1  0.04763629  0.88628266  0.77817722  1
  Li  Li8  1  0.72182278  0.95236371  0.38628266  1
  Li  Li9  1  0.22182278  0.54763629  0.61371734  1
  Li  Li10  1  0.27817722  0.45236371  0.11371734  1
  Li  Li11  1  0.77817722  0.04763629  0.88628266  1
  Li  Li12  1  0.61371734  0.27817722  0.04763629  1
  Li  Li13  1  0.38628266  0.77817722  0.45236371  1
  Li  Li14  1  0.88628266  0.72182278  0.54763629  1
  Li  Li15  1  0.11371734  0.22182278  0.95236371  1
  Li  Li16  1  0.04763629  0.61371734  0.27817722  1
  Li  Li17  1  0.45236371  0.38628266  0.77817722  1
  Li  Li18  1  0.54763629  0.88628266  0.72182278  1
  Li  Li19  1  0.95236371  0.11371734  0.22182278  1
  Li  Li20  1  0.27817722  0.04763629  0.61371734  1
  Li  Li21  1  0.77817722  0.45236371  0.38628266  1
  Li  Li22  1  0.72182278  0.54763629  0.88628266  1
  Li  Li23  1  0.22182278  0.95236371  0.11371734  1
  Ca  Ca24  1  0.29502788  0.70497212  0.20497212  1
  Ca  Ca25  1  0.70497212  0.20497212  0.29502788  1
  Ca  Ca26  1  0.20497212  0.29502788  0.70497212  1
  Ca  Ca27  1  0.79502788  0.79502788  0.79502788  1
  Ca  Ca28  1  0.70497212  0.29502788  0.79502788  1
  Ca  Ca29  1  0.29502788  0.79502788  0.70497212  1
  Ca  Ca30  1  0.79502788  0.70497212  0.29502788  1
  Ca  Ca31  1  0.20497212  0.20497212  0.20497212  1
  Ca  Ca32  1  0.50000000  -0.00000000  0.00000000  1
  Ca  Ca33  1  0.50000000  0.50000000  0.50000000  1
  Ca  Ca34  1  0.00000000  -0.00000000  0.50000000  1
  Ca  Ca35  1  0.00000000  0.50000000  0.00000000  1
  Si  Si36  1  0.24838142  0.98463266  0.37246985  1
  Si  Si37  1  0.75161858  0.48463266  0.12753015  1
  Si  Si38  1  0.25161858  0.01536734  0.87246985  1
  Si  Si39  1  0.74838142  0.51536734  0.62753015  1
  Si  Si40  1  0.37246985  0.24838142  0.98463266  1
  Si  Si41  1  0.12753015  0.75161858  0.48463266  1
  Si  Si42  1  0.87246985  0.25161858  0.01536734  1
  Si  Si43  1  0.62753015  0.74838142  0.51536734  1
  Si  Si44  1  0.98463266  0.37246985  0.24838142  1
  Si  Si45  1  0.48463266  0.12753015  0.75161858  1
  Si  Si46  1  0.01536734  0.87246985  0.25161858  1
  Si  Si47  1  0.51536734  0.62753015  0.74838142  1
  Si  Si48  1  0.75161858  0.01536734  0.62753015  1
  Si  Si49  1  0.24838142  0.51536734  0.87246985  1
  Si  Si50  1  0.74838142  0.98463266  0.12753015  1
  Si  Si51  1  0.25161858  0.48463266  0.37246985  1
  Si  Si52  1  0.62753015  0.75161858  0.01536734  1
  Si  Si53  1  0.87246985  0.24838142  0.51536734  1
  Si  Si54  1  0.12753015  0.74838142  0.98463266  1
  Si  Si55  1  0.37246985  0.25161858  0.48463266  1
  Si  Si56  1  0.01536734  0.62753015  0.75161858  1
  Si  Si57  1  0.51536734  0.87246985  0.24838142  1
  Si  Si58  1  0.98463266  0.12753015  0.74838142  1
  Si  Si59  1  0.48463266  0.37246985  0.25161858  1
  N  N60  1  0.49617756  0.78118410  0.10963942  1
  N  N61  1  0.50382244  0.28118410  0.39036058  1
  N  N62  1  0.00382244  0.21881590  0.60963942  1
  N  N63  1  0.99617756  0.71881590  0.89036058  1
  N  N64  1  0.10963942  0.49617756  0.78118410  1
  N  N65  1  0.39036058  0.50382244  0.28118410  1
  N  N66  1  0.60963942  0.00382244  0.21881590  1
  N  N67  1  0.89036058  0.99617756  0.71881590  1
  N  N68  1  0.78118410  0.10963942  0.49617756  1
  N  N69  1  0.28118410  0.39036058  0.50382244  1
  N  N70  1  0.21881590  0.60963942  0.00382244  1
  N  N71  1  0.71881590  0.89036058  0.99617756  1
  N  N72  1  0.50382244  0.21881590  0.89036058  1
  N  N73  1  0.49617756  0.71881590  0.60963942  1
  N  N74  1  0.99617756  0.78118410  0.39036058  1
  N  N75  1  0.00382244  0.28118410  0.10963942  1
  N  N76  1  0.89036058  0.50382244  0.21881590  1
  N  N77  1  0.60963942  0.49617756  0.71881590  1
  N  N78  1  0.39036058  0.99617756  0.78118410  1
  N  N79  1  0.10963942  0.00382244  0.28118410  1
  N  N80  1  0.21881590  0.89036058  0.50382244  1
  N  N81  1  0.71881590  0.60963942  0.49617756  1
  N  N82  1  0.78118410  0.39036058  0.99617756  1
  N  N83  1  0.28118410  0.10963942  0.00382244  1
  N  N84  1  0.07873788  0.77572876  0.13775716  1
  N  N85  1  0.92126212  0.27572876  0.36224284  1
  N  N86  1  0.42126212  0.22427124  0.63775716  1
  N  N87  1  0.57873788  0.72427124  0.86224284  1
  N  N88  1  0.13775716  0.07873788  0.77572876  1
  N  N89  1  0.36224284  0.92126212  0.27572876  1
  N  N90  1  0.63775716  0.42126212  0.22427124  1
  N  N91  1  0.86224284  0.57873788  0.72427124  1
  N  N92  1  0.77572876  0.13775716  0.07873788  1
  N  N93  1  0.27572876  0.36224284  0.92126212  1
  N  N94  1  0.22427124  0.63775716  0.42126212  1
  N  N95  1  0.72427124  0.86224284  0.57873788  1
  N  N96  1  0.92126212  0.22427124  0.86224284  1
  N  N97  1  0.07873788  0.72427124  0.63775716  1
  N  N98  1  0.57873788  0.77572876  0.36224284  1
  N  N99  1  0.42126212  0.27572876  0.13775716  1
  N  N100  1  0.86224284  0.92126212  0.22427124  1
  N  N101  1  0.63775716  0.07873788  0.72427124  1
  N  N102  1  0.36224284  0.57873788  0.77572876  1
  N  N103  1  0.13775716  0.42126212  0.27572876  1
  N  N104  1  0.22427124  0.86224284  0.92126212  1
  N  N105  1  0.72427124  0.63775716  0.07873788  1
  N  N106  1  0.77572876  0.36224284  0.57873788  1
  N  N107  1  0.27572876  0.13775716  0.42126212  1
