data_[Mg2Mo4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1751]
_cell_length_b [9.1192]
_cell_length_c [2.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgMo2Rh]
_chemical_formula_sum '[Mg2 Mo4 Rh2]'
_cell_volume [124.9808]
_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  0.5000  0.5000  1
  Mo  Mo1  4  0.2500  0.2500  0.0000  1
  Rh  Rh2  2  0.0000  0.0000  0.5000  1
]