data_PbBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   6.49
_cell_angle_alpha   104.06
_cell_angle_beta   104.06
_cell_angle_gamma   45.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbBr2Cl
_chemical_formula_sum   'Pb1 Br2 Cl1'
_cell_volume   135.37
_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
  Pb  Pb3  1  0.77  0.0  0.31  1.0
  Br  Br0  1  0.81  0.0  0.16  1.0
  Br  Br1  1  0.32  0.0  0.56  1.0
  Cl  Cl2  1  0.84  0.0  0.36  1.0

data_PbBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.53
_cell_length_c   6.49
_cell_angle_alpha   104.06
_cell_angle_beta   90.0
_cell_angle_gamma   112.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbBr2Cl
_chemical_formula_sum   'Pb1 Br2 Cl1'
_cell_volume   135.37
_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
  Pb  Pb0  1  0.0  0.23  0.69  1.0
  Br  Br1  1  0.0  0.19  0.84  1.0
  Br  Br2  1  0.0  0.68  0.44  1.0
  Cl  Cl3  1  0.0  0.16  0.64  1.0

Pb Br Br Cl