data_KInBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   146.12
_cell_angle_beta   144.46
_cell_angle_gamma   49.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInBr
_chemical_formula_sum   'K1 In1 Br1'
_cell_volume   124.58
_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  0.99  1.0
  In  In1  1  0.0  0.0  0.13  1.0
  Br  Br0  1  0.0  0.0  0.29  1.0

data_KInBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.45
_cell_length_c   7.28
_cell_angle_alpha   107.77
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInBr
_chemical_formula_sum   'K1 In1 Br1'
_cell_volume   124.58
_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  0.99  0.99  1.0
  In  In1  1  0.0  0.13  0.13  1.0
  Br  Br2  1  0.0  0.29  0.29  1.0

K In Br
K In Br 0 1 o o + 1 2 o o o 