data_Mg2SiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   133.48
_cell_angle_beta   133.48
_cell_angle_gamma   67.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SiRh
_chemical_formula_sum   'Mg2 Si1 Rh1'
_cell_volume   62.15
_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  0.05  1.0
  Mg  Mg1  1  0.0  0.95  0.05  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.09  1.0

data_Mg2SiRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   123.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2SiRh
_chemical_formula_sum   'Mg4 Si2 Rh2'
_cell_volume   124.31
_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  0.43  0.47  0.9  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.41  0.5  0.91  1.0

Mg Mg Si Rh
Mg Mg Si Rh 0 3 + o o 0 2 + o o 1 3 o + o 1 2 o + o 2 3 o o o 