data_ZrRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   7.97
_cell_angle_alpha   154.85
_cell_angle_beta   149.47
_cell_angle_gamma   39.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRhBr2
_chemical_formula_sum   'Zr1 Rh1 Br2'
_cell_volume   109.03
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.49  1.0
  Br  Br0  1  0.0  0.1  0.31  1.0
  Br  Br1  1  0.73  0.0  0.18  1.0

data_ZrRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.2
_cell_length_c   7.97
_cell_angle_alpha   105.27
_cell_angle_beta   102.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRhBr2
_chemical_formula_sum   'Zr1 Rh1 Br2'
_cell_volume   109.03
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.49  0.49  1.0
  Br  Br2  1  0.0  0.18  0.44  1.0
  Br  Br3  1  0.9  0.22  0.22  1.0

Zr Rh Br Br