data_Mg2BRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   133.16
_cell_angle_beta   133.16
_cell_angle_gamma   68.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BRh
_chemical_formula_sum   'Mg2 B1 Rh1'
_cell_volume   54.52
_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  0.87  0.0  0.95  1.0
  Mg  Mg2  1  0.0  0.87  0.95  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.89  1.0

data_Mg2BRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   124.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2BRh
_chemical_formula_sum   'Mg4 B2 Rh2'
_cell_volume   109.05
_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  4  0.49  0.44  0.92  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.11  0.0  0.11  1.0

Mg Mg B Rh
Mg Mg B Rh 0 2 + o + 1 2 o + + 2 3 o o - 