data_[Mg6B4Rh14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2226]
_cell_length_b [5.3489]
_cell_length_c [7.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3B2Rh7]
_chemical_formula_sum '[Mg6 B4 Rh14]'
_cell_volume [354.9601]
_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  4  0.1424  0.5000  0.9273  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  B  B2  4  0.1725  0.0000  0.4970  1
  Rh  Rh3  8  0.1851  0.2507  0.2915  1
  Rh  Rh4  4  0.0621  0.0000  0.6973  1
  Rh  Rh5  2  0.0000  0.0000  0.0000  1
]