data_KPbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   34.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPbBr2
_chemical_formula_sum   'K1 Pb1 Br2'
_cell_volume   132.73
_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  0.02  1.0
  Pb  Pb3  1  0.84  0.0  0.03  1.0
  Br  Br0  1  0.84  0.0  0.08  1.0
  Br  Br1  1  0.0  0.0  0.34  1.0

data_KPbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.68
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPbBr2
_chemical_formula_sum   'K1 Pb1 Br2'
_cell_volume   132.73
_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  0.98  0.0  0.98  1.0
  Pb  Pb1  1  0.97  0.84  0.97  1.0
  Br  Br2  1  0.66  0.0  0.66  1.0
  Br  Br3  1  0.92  0.84  0.92  1.0

K Pb Br Br