data_K2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   11.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InBi
_chemical_formula_sum   'K2 In1 Bi1'
_cell_volume   144.3
_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  0.78  0.78  0.97  1.0
  K  K3  1  0.78  0.78  0.39  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.68  1.0

data_K2InBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   11.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2InBi
_chemical_formula_sum   'K4 In2 Bi2'
_cell_volume   288.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.5  0.39  1.0
  K  K1  2  0.28  0.5  0.97  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.68  1.0

K K In Bi
K K In Bi 0 2 + + + 0 3 + + o 1 1 + o o 1 1 o + o 1 3 + + o 2 3 o o - 3 3 + o o 3 3 o + o 