data_FeRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   146.49
_cell_angle_beta   146.49
_cell_angle_gamma   48.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRhBr2
_chemical_formula_sum   'Fe1 Rh1 Br2'
_cell_volume   73.57
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.8  0.0  0.85  1.0
  Br  Br0  1  0.0  0.0  0.69  1.0
  Br  Br1  1  0.0  0.8  0.85  1.0

data_FeRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   6.23
_cell_angle_alpha   106.75
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRhBr2
_chemical_formula_sum   'Fe1 Rh1 Br2'
_cell_volume   73.57
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.85  0.05  0.05  1.0
  Br  Br2  1  0.05  0.85  0.05  1.0
  Br  Br3  1  0.69  0.69  0.69  1.0

Fe Rh Br Br