data_PtRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.75
_cell_angle_alpha   104.92
_cell_angle_beta   104.92
_cell_angle_gamma   32.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtRh2Br
_chemical_formula_sum   'Pt1 Rh2 Br1'
_cell_volume   65.75
_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
  Pt  Pt1  1  0.62  0.0  0.58  1.0
  Rh  Rh2  1  0.9  0.0  0.56  1.0
  Rh  Rh3  1  0.13  0.0  0.19  1.0
  Br  Br0  1  0.19  0.0  0.11  1.0

data_PtRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.75
_cell_length_c   5.21
_cell_angle_alpha   104.92
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtRh2Br
_chemical_formula_sum   'Pt1 Rh2 Br1'
_cell_volume   65.75
_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
  Rh  Rh0  1  0.0  0.19  0.13  1.0
  Rh  Rh1  1  0.0  0.56  0.9  1.0
  Pt  Pt2  1  0.0  0.58  0.62  1.0
  Br  Br3  1  0.0  0.11  0.19  1.0

Pt Rh Rh Br
Pt Rh Rh Br 0 1 o o o 2 3 o o o 