data_PbBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.53
_cell_angle_alpha   102.9
_cell_angle_beta   102.9
_cell_angle_gamma   40.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbBrCl2
_chemical_formula_sum   'Pb1 Br1 Cl2'
_cell_volume   125.99
_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  0.96  0.0  0.69  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.79  0.0  0.68  1.0
  Cl  Cl2  1  0.13  0.0  0.7  1.0

data_PbBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   5.53
_cell_length_c   6.0
_cell_angle_alpha   102.9
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbBrCl2
_chemical_formula_sum   'Pb1 Br1 Cl2'
_cell_volume   125.99
_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  0.69  0.96  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.68  0.79  1.0
  Cl  Cl3  1  0.0  0.7  0.13  1.0

Pb Br Cl Cl