# generated using pymatgen
data_Li6Ca12Mo4N16O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.37071087
_cell_length_b   11.37071149
_cell_length_c   11.37071100
_cell_angle_alpha   109.47121977
_cell_angle_beta   109.47122087
_cell_angle_gamma   109.47122182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ca12Mo4N16O3
_chemical_formula_sum   'Li12 Ca24 Mo8 N32 O6'
_cell_volume   1131.72519497
_cell_formula_units_Z   2
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  0.25000000  0.27518000  0.02518100  1
  Li  Li1  1  0.25000000  0.97482000  0.72481900  1
  Li  Li2  1  0.77518100  0.75000000  0.52518100  1
  Li  Li3  1  0.52518100  0.77518000  0.75000000  1
  Li  Li4  1  0.72481900  0.25000000  0.97482000  1
  Li  Li5  1  0.97482000  0.72481900  0.25000000  1
  Li  Li6  1  0.75000000  0.22481900  0.47481900  1
  Li  Li7  1  0.22482000  0.47482000  0.75000000  1
  Li  Li8  1  0.27518100  0.02518100  0.25000000  1
  Li  Li9  1  0.02518100  0.25000000  0.27518100  1
  Li  Li10  1  0.47481900  0.75000000  0.22482000  1
  Li  Li11  1  0.75000100  0.52518100  0.77518100  1
  Ca  Ca12  1  0.59501100  0.53845000  0.20822700  1
  Ca  Ca13  1  0.96155100  0.55656200  0.66977700  1
  Ca  Ca14  1  0.29177300  0.83022300  0.38678500  1
  Ca  Ca15  1  0.90498800  0.11321500  0.94343800  1
  Ca  Ca16  1  0.11321600  0.94343800  0.90498800  1
  Ca  Ca17  1  0.94343700  0.90498800  0.11321500  1
  Ca  Ca18  1  0.09501200  0.70822700  0.03845000  1
  Ca  Ca19  1  0.16977800  0.05656300  0.46155100  1
  Ca  Ca20  1  0.33022200  0.79177300  0.88678500  1
  Ca  Ca21  1  0.44343800  0.61321500  0.40498800  1
  Ca  Ca22  1  0.61321500  0.40498800  0.44343800  1
  Ca  Ca23  1  0.03845000  0.09501200  0.70822700  1
  Ca  Ca24  1  0.05656200  0.46155100  0.16977700  1
  Ca  Ca25  1  0.88678500  0.33022300  0.79177300  1
  Ca  Ca26  1  0.70822800  0.03845000  0.09501200  1
  Ca  Ca27  1  0.46155000  0.16977800  0.05656300  1
  Ca  Ca28  1  0.79177300  0.88678400  0.33022300  1
  Ca  Ca29  1  0.66977800  0.96155100  0.55656200  1
  Ca  Ca30  1  0.83022300  0.38678500  0.29177300  1
  Ca  Ca31  1  0.38678500  0.29177300  0.83022300  1
  Ca  Ca32  1  0.53844900  0.20822700  0.59501200  1
  Ca  Ca33  1  0.20822700  0.59501100  0.53844900  1
  Ca  Ca34  1  0.55656200  0.66977800  0.96155100  1
  Ca  Ca35  1  0.40498800  0.44343800  0.61321600  1
  Mo  Mo36  1  0.27580200  0.27580200  0.27580200  1
  Mo  Mo37  1  0.72419800  0.50000000  0.00000000  1
  Mo  Mo38  1  0.50000000  0.00000000  0.72419900  1
  Mo  Mo39  1  0.00000000  0.72419800  0.50000000  1
  Mo  Mo40  1  0.50000000  0.00000000  0.22419900  1
  Mo  Mo41  1  0.00000000  0.22419900  0.50000000  1
  Mo  Mo42  1  0.22419800  0.50000000  0.00000000  1
  Mo  Mo43  1  0.77580200  0.77580200  0.77580200  1
  N  N44  1  0.11073400  0.11073400  0.11073400  1
  N  N45  1  0.88926600  0.50000000  0.00000000  1
  N  N46  1  0.50000000  0.00000000  0.88926700  1
  N  N47  1  0.00000100  0.88926700  0.50000000  1
  N  N48  1  0.50000000  0.00000000  0.38926700  1
  N  N49  1  0.00000000  0.38926700  0.50000000  1
  N  N50  1  0.38926600  0.50000000  0.00000000  1
  N  N51  1  0.61073300  0.61073400  0.61073400  1
  N  N52  1  0.41833300  0.36712000  0.23477000  1
  N  N53  1  0.13288100  0.55121300  0.86765000  1
  N  N54  1  0.26523000  0.63234900  0.18356200  1
  N  N55  1  0.08166700  0.31643700  0.94878700  1
  N  N56  1  0.31643700  0.94878600  0.08166700  1
  N  N57  1  0.94878700  0.08166800  0.31643700  1
  N  N58  1  0.91833200  0.73477000  0.86711900  1
  N  N59  1  0.36765100  0.05121300  0.63288100  1
  N  N60  1  0.13235000  0.76523000  0.68356300  1
  N  N61  1  0.44878600  0.81643700  0.58166700  1
  N  N62  1  0.81643700  0.58166700  0.44878700  1
  N  N63  1  0.86712000  0.91833300  0.73477000  1
  N  N64  1  0.05121300  0.63288100  0.36765000  1
  N  N65  1  0.68356300  0.13234900  0.76523000  1
  N  N66  1  0.73477000  0.86712000  0.91833300  1
  N  N67  1  0.63288000  0.36765000  0.05121300  1
  N  N68  1  0.76523000  0.68356300  0.13235000  1
  N  N69  1  0.86765100  0.13288100  0.55121400  1
  N  N70  1  0.63235000  0.18356300  0.26523000  1
  N  N71  1  0.18356300  0.26523100  0.63234900  1
  N  N72  1  0.36711900  0.23476900  0.41833300  1
  N  N73  1  0.23477000  0.41833200  0.36711900  1
  N  N74  1  0.55121300  0.86765000  0.13288000  1
  N  N75  1  0.58166700  0.44878600  0.81643700  1
  O  O76  1  0.12500000  0.87500000  0.25000000  1
  O  O77  1  0.62500000  0.75000000  0.37500000  1
  O  O78  1  0.87500000  0.25000000  0.12500000  1
  O  O79  1  0.25000000  0.12500000  0.87499900  1
  O  O80  1  0.75000000  0.37500000  0.62500000  1
  O  O81  1  0.37500000  0.62499900  0.75000000  1
