data_MgRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.43
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2Br
_chemical_formula_sum   'Mg1 Rh2 Br1'
_cell_volume   73.79
_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  0.95  0.0  0.3  1.0
  Rh  Rh2  1  0.99  0.71  0.14  1.0
  Rh  Rh3  1  0.4  0.0  0.27  1.0
  Br  Br0  1  0.44  0.71  0.48  1.0

data_MgRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.43
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2Br
_chemical_formula_sum   'Mg1 Rh2 Br1'
_cell_volume   73.79
_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  Mg0  1  0.95  0.0  0.3  1.0
  Rh  Rh1  1  0.4  0.0  0.27  1.0
  Rh  Rh2  1  0.99  0.71  0.14  1.0
  Br  Br3  1  0.44  0.71  0.48  1.0

Mg Rh Rh Br