data_SrPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.38
_cell_angle_alpha   94.32
_cell_angle_beta   94.32
_cell_angle_gamma   37.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPt2Br
_chemical_formula_sum   'Sr1 Pt2 Br1'
_cell_volume   90.94
_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  0.38  0.0  0.18  1.0
  Pt  Pt1  1  0.43  0.0  0.21  1.0
  Pt  Pt2  1  0.34  0.0  0.16  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.38
_cell_length_c   5.87
_cell_angle_alpha   94.32
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPt2Br
_chemical_formula_sum   'Sr1 Pt2 Br1'
_cell_volume   90.94
_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  0.18  0.38  1.0
  Pt  Pt1  1  0.0  0.16  0.34  1.0
  Pt  Pt2  1  0.0  0.21  0.43  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Pt Pt Br