# generated using pymatgen
data_LiCaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31420857
_cell_length_b   7.23303149
_cell_length_c   7.87714569
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaAs
_chemical_formula_sum   'Li4 Ca4 As4'
_cell_volume   245.80480657
_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  0.75000000  0.35151924  0.56961040  1
  Li  Li1  1  0.75000000  0.85151924  0.93038960  1
  Li  Li2  1  0.25000000  0.64848076  0.43038960  1
  Li  Li3  1  0.25000000  0.14848076  0.06961040  1
  Ca  Ca4  1  0.75000000  0.48614802  0.19809545  1
  Ca  Ca5  1  0.75000000  0.98614802  0.30190455  1
  Ca  Ca6  1  0.25000000  0.51385198  0.80190455  1
  Ca  Ca7  1  0.25000000  0.01385198  0.69809545  1
  As  As8  1  0.75000000  0.23122416  0.89816782  1
  As  As9  1  0.75000000  0.73122416  0.60183218  1
  As  As10  1  0.25000000  0.76877584  0.10183218  1
  As  As11  1  0.25000000  0.26877584  0.39816782  1
