data_KPbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   152.14
_cell_angle_beta   152.14
_cell_angle_gamma   39.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPbBr
_chemical_formula_sum   'K1 Pb1 Br1'
_cell_volume   107.25
_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  0.4  1.0
  Pb  Pb2  1  0.0  0.0  0.14  1.0
  Br  Br0  1  0.0  0.0  0.31  1.0

data_KPbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   109.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KPbBr
_chemical_formula_sum   'K2 Pb2 Br2'
_cell_volume   214.51
_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  0.6  1.0
  Pb  Pb1  2  0.0  0.0  0.86  1.0
  Br  Br2  2  0.0  0.0  0.69  1.0

K Pb Br
K Pb Br 0 2 o o o 1 2 o o o 