# generated using pymatgen
data_Li2Ca3N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86886300
_cell_length_b   8.06415800
_cell_length_c   14.21357400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ca3N6
_chemical_formula_sum   'Li8 Ca12 N24'
_cell_volume   558.07154305
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.66102400  1
  Li  Li1  1  0.00000000  0.00000000  0.66102400  1
  Li  Li2  1  0.50000000  0.00000000  0.33897600  1
  Li  Li3  1  0.00000000  0.00000000  0.33897600  1
  Li  Li4  1  0.50000000  0.50000000  0.16280800  1
  Li  Li5  1  0.00000000  0.50000000  0.16280800  1
  Li  Li6  1  0.50000000  0.50000000  0.83719200  1
  Li  Li7  1  0.00000000  0.50000000  0.83719200  1
  Ca  Ca8  1  0.25000000  0.68222800  0.00000000  1
  Ca  Ca9  1  0.75000000  0.31777200  0.00000000  1
  Ca  Ca10  1  0.25000000  0.18190400  0.50000000  1
  Ca  Ca11  1  0.75000000  0.81809600  0.50000000  1
  Ca  Ca12  1  0.25000000  0.15885600  0.83828300  1
  Ca  Ca13  1  0.75000000  0.84114400  0.83828300  1
  Ca  Ca14  1  0.75000000  0.84114400  0.16171700  1
  Ca  Ca15  1  0.25000000  0.15885600  0.16171700  1
  Ca  Ca16  1  0.25000000  0.66066600  0.33655100  1
  Ca  Ca17  1  0.75000000  0.33933400  0.33655100  1
  Ca  Ca18  1  0.75000000  0.33933400  0.66344900  1
  Ca  Ca19  1  0.25000000  0.66066600  0.66344900  1
  N  N20  1  0.25000000  0.71192700  0.82719100  1
  N  N21  1  0.75000000  0.28807300  0.82719100  1
  N  N22  1  0.75000000  0.28807300  0.17280900  1
  N  N23  1  0.25000000  0.71192700  0.17280900  1
  N  N24  1  0.25000000  0.86648200  0.19996300  1
  N  N25  1  0.75000000  0.13351800  0.19996300  1
  N  N26  1  0.75000000  0.13351800  0.80003700  1
  N  N27  1  0.25000000  0.86648200  0.80003700  1
  N  N28  1  0.25000000  0.21551500  0.32553400  1
  N  N29  1  0.75000000  0.78448500  0.32553400  1
  N  N30  1  0.75000000  0.78448500  0.67446600  1
  N  N31  1  0.25000000  0.21551500  0.67446600  1
  N  N32  1  0.25000000  0.36805400  0.70610300  1
  N  N33  1  0.75000000  0.63194600  0.70610300  1
  N  N34  1  0.75000000  0.63194600  0.29389700  1
  N  N35  1  0.25000000  0.36805400  0.29389700  1
  N  N36  1  0.25000000  0.38769400  0.95386800  1
  N  N37  1  0.75000000  0.61230600  0.95386800  1
  N  N38  1  0.75000000  0.61230600  0.04613200  1
  N  N39  1  0.25000000  0.38769400  0.04613200  1
  N  N40  1  0.25000000  0.88865600  0.45367000  1
  N  N41  1  0.75000000  0.11134400  0.45367000  1
  N  N42  1  0.75000000  0.11134400  0.54633000  1
  N  N43  1  0.25000000  0.88865600  0.54633000  1
