data_KBiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   147.65
_cell_angle_beta   147.65
_cell_angle_gamma   46.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiBr2
_chemical_formula_sum   'K1 Bi1 Br2'
_cell_volume   147.76
_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  K3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.24  0.0  0.69  1.0
  Br  Br1  1  0.0  0.0  0.38  1.0
  Br  Br2  1  0.0  0.24  0.69  1.0

data_KBiBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   8.03
_cell_angle_alpha   106.17
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiBr2
_chemical_formula_sum   'K1 Bi1 Br2'
_cell_volume   147.76
_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  0.69  0.45  0.45  1.0
  Br  Br2  1  0.38  0.38  0.38  1.0
  Br  Br3  1  0.45  0.69  0.45  1.0

K Bi Br Br