data_[Mg2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0849]
_cell_length_b [2.8003]
_cell_length_c [4.7155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgRh3]
_chemical_formula_sum '[Mg2 Rh6]'
_cell_volume [118.1582]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  4  0.2444  0.0000  0.7397  1.0
  Rh  Rh2  2  0.0000  0.5000  0.5000  1.0
]