data_SrPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   4.43
_cell_angle_alpha   106.45
_cell_angle_beta   106.45
_cell_angle_gamma   131.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPb2Br
_chemical_formula_sum   'Sr1 Pb2 Br1'
_cell_volume   139.26
_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
  Sr  Sr3  1  0.13  0.0  0.0  1.0
  Pb  Pb1  1  0.05  0.44  0.61  1.0
  Pb  Pb2  1  0.05  0.56  0.61  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.57
_cell_length_c   7.56
_cell_angle_alpha   107.05
_cell_angle_beta   106.45
_cell_angle_gamma   91.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPb2Br
_chemical_formula_sum   'Sr1 Pb2 Br1'
_cell_volume   139.26
_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
  Sr  Sr0  1  0.0  0.0  0.13  1.0
  Pb  Pb1  1  0.06  0.44  0.49  1.0
  Pb  Pb2  1  0.17  0.56  0.61  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Pb Pb Br