data_MgRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   20.27
_cell_angle_beta   20.27
_cell_angle_gamma   20.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2Br
_chemical_formula_sum   'Mg1 Rh2 Br1'
_cell_volume   66.57
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.95  1.0
  Rh  Rh3  1  0.0  0.0  0.28  1.0
  Br  Br0  1  0.0  0.0  0.62  1.0

data_MgRh2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   3.02
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   101.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgRh2Br
_chemical_formula_sum   'Mg2 Rh4 Br2'
_cell_volume   133.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.0  0.0  0.05  1.0
  Rh  Rh2  2  0.0  0.0  0.72  1.0
  Br  Br3  2  0.0  0.0  0.38  1.0

Mg Rh Rh Br