data_KBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   95.84
_cell_angle_beta   95.84
_cell_angle_gamma   142.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi4
_chemical_formula_sum   'K1 Bi4'
_cell_volume   174.79
_cell_formula_units_Z   1
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  K4  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.31  0.45  0.0  1.0
  Bi  Bi1  1  0.45  0.72  0.0  1.0
  Bi  Bi2  1  0.21  0.06  0.15  1.0
  Bi  Bi3  1  0.06  0.79  0.15  1.0

data_KBi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   84.16
_cell_angle_beta   71.4
_cell_angle_gamma   71.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi4
_chemical_formula_sum   'K1 Bi4'
_cell_volume   174.79
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.06  0.15  0.85  1.0
  Bi  Bi2  1  0.45  0.85  0.0  1.0
  Bi  Bi3  1  0.72  0.74  0.0  1.0
  Bi  Bi4  1  0.79  0.26  0.85  1.0

K Bi Bi Bi Bi