data_SrPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   3.51
_cell_angle_alpha   106.23
_cell_angle_beta   106.23
_cell_angle_gamma   125.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPt2Br
_chemical_formula_sum   'Sr1 Pt2 Br1'
_cell_volume   89.72
_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  0.88  0.0  0.0  1.0
  Pt  Pt1  1  0.44  0.81  0.0  1.0
  Pt  Pt2  1  0.44  0.19  0.0  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   3.51
_cell_length_b   4.56
_cell_length_c   6.3
_cell_angle_alpha   111.13
_cell_angle_beta   106.07
_cell_angle_gamma   90.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPt2Br
_chemical_formula_sum   'Sr1 Pt2 Br1'
_cell_volume   89.72
_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  0.12  0.12  1.0
  Pt  Pt1  1  0.19  0.56  0.75  1.0
  Pt  Pt2  1  0.81  0.56  0.36  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Pt Pt Br
Sr Pt Pt Br 0 3 + o o 0 1 o - o 1 2 o + o 2 3 o o o 