data_KNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   9.07
_cell_angle_alpha   158.05
_cell_angle_beta   154.39
_cell_angle_gamma   33.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiBi2
_chemical_formula_sum   'K1 Ni1 Bi2'
_cell_volume   120.27
_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  K2  1  0.0  0.0  0.77  1.0
  Ni  Ni3  1  0.0  0.01  0.01  1.0
  Bi  Bi0  1  0.0  0.0  0.71  1.0
  Bi  Bi1  1  0.73  0.0  0.19  1.0

data_KNiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.02
_cell_length_c   9.07
_cell_angle_alpha   102.81
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiBi2
_chemical_formula_sum   'K1 Ni1 Bi2'
_cell_volume   120.27
_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  0.77  0.77  1.0
  Ni  Ni1  1  0.99  1.0  1.0  1.0
  Bi  Bi2  1  0.0  0.19  0.46  1.0
  Bi  Bi3  1  0.0  0.71  0.71  1.0

K Ni Bi Bi