data_[Mg10B2Rh12]
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 [Immm]
_cell_length_a [4.3351]
_cell_length_b [6.2063]
_cell_length_c [12.7317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg5BRh6]
_chemical_formula_sum '[Mg10 B2 Rh12]'
_cell_volume [342.5426]
_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  0.0000  0.0000  0.3381  1
  Mg  Mg1  4  0.0000  0.5000  0.3156  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  B  B3  2  0.0000  0.0000  0.0000  1
  Rh  Rh4  8  0.0000  0.2260  0.1497  1
  Rh  Rh5  4  0.0000  0.2870  0.5000  1
]