data_ZnRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   148.45
_cell_angle_beta   132.73
_cell_angle_gamma   57.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRh2Br
_chemical_formula_sum   'Zn1 Rh2 Br1'
_cell_volume   63.7
_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
  Zn  Zn3  1  0.0  0.0  0.77  1.0
  Rh  Rh1  1  0.0  0.0  0.56  1.0
  Rh  Rh2  1  0.5  0.0  0.33  1.0
  Br  Br0  1  0.0  0.21  0.61  1.0

data_ZnRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.42
_cell_length_c   5.51
_cell_angle_alpha   113.63
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRh2Br
_chemical_formula_sum   'Zn1 Rh2 Br1'
_cell_volume   63.7
_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
  Zn  Zn0  1  0.23  0.23  0.23  1.0
  Rh  Rh1  1  0.17  0.67  0.17  1.0
  Rh  Rh2  1  0.44  0.44  0.44  1.0
  Br  Br3  1  0.39  0.6  0.6  1.0

Zn Rh Rh Br
Zn Rh Rh Br 0 1 o o o 0 2 o o + 0 2 - o o 1 3 o o o 1 2 - o o 2 3 + o o 