# generated using pymatgen
data_KCaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40489026
_cell_length_b   5.40489026
_cell_length_c   8.45874323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaBi
_chemical_formula_sum   'K2 Ca2 Bi2'
_cell_volume   247.10390177
_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
  K  K0  1  0.25000000  0.25000000  0.86641234  1.0
  K  K1  1  0.75000000  0.75000000  0.13358766  1.0
  Ca  Ca2  1  0.25000000  0.75000000  0.50000000  1.0
  Ca  Ca3  1  0.75000000  0.25000000  0.50000000  1.0
  Bi  Bi4  1  0.25000000  0.25000000  0.29139903  1.0
  Bi  Bi5  1  0.75000000  0.75000000  0.70860097  1.0