# generated using pymatgen
data_LiCa2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30352500
_cell_length_b   5.30352500
_cell_length_c   6.62918500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2CuN2
_chemical_formula_sum   'Li2 Ca4 Cu2 N4'
_cell_volume   186.46158852
_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  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Ca  Ca2  1  0.00000000  0.50000000  0.25000000  1
  Ca  Ca3  1  0.50000000  0.00000000  0.75000000  1
  Ca  Ca4  1  0.00000000  0.50000000  0.75000000  1
  Ca  Ca5  1  0.50000000  0.00000000  0.25000000  1
  Cu  Cu6  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu7  1  0.00000000  0.00000000  0.50000000  1
  N  N8  1  0.24816400  0.75183600  0.50000000  1
  N  N9  1  0.75183600  0.24816400  0.50000000  1
  N  N10  1  0.25183600  0.25183600  0.00000000  1
  N  N11  1  0.74816400  0.74816400  0.00000000  1
