# generated using pymatgen
data_LiCa2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52731000
_cell_length_b   3.91367700
_cell_length_c   13.46979600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2NiN2
_chemical_formula_sum   'Li2 Ca4 Ni2 N4'
_cell_volume   185.94719352
_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  0.50000000  0.50000000  0.25000000  1
  Li  Li1  1  0.50000000  0.50000000  0.75000000  1
  Ca  Ca2  1  0.00000000  0.00000000  0.37352700  1
  Ca  Ca3  1  0.00000000  0.00000000  0.87352700  1
  Ca  Ca4  1  0.00000000  0.00000000  0.12647300  1
  Ca  Ca5  1  0.00000000  0.00000000  0.62647300  1
  Ni  Ni6  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.50000000  1
  N  N8  1  0.50000000  0.00000000  0.25000000  1
  N  N9  1  0.50000000  0.00000000  0.75000000  1
  N  N10  1  0.00000000  0.50000000  0.00000000  1
  N  N11  1  0.00000000  0.50000000  0.50000000  1
