data_KSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   9.25
_cell_angle_alpha   24.15
_cell_angle_beta   24.15
_cell_angle_gamma   24.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Bi
_chemical_formula_sum   'K1 Si2 Bi1'
_cell_volume   116.41
_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  K1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.32  1.0
  Si  Si3  1  0.0  0.0  0.6  1.0
  Bi  Bi0  1  0.0  0.0  0.46  1.0

data_KSi2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   3.87
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSi2Bi
_chemical_formula_sum   'K2 Si4 Bi2'
_cell_volume   232.81
_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  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.4  1.0
  Si  Si2  2  0.0  0.0  0.68  1.0
  Bi  Bi3  2  0.0  0.0  0.54  1.0

K Si Si Bi