data_[Mg12Ga12Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1950]
_cell_length_b [10.2538]
_cell_length_c [16.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg3Ga3Rh2]
_chemical_formula_sum '[Mg12 Ga12 Rh8]'
_cell_volume [545.0202]
_cell_formula_units_Z [4]
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  8  0.0000  0.0368  0.6189  1.0
  Mg  Mg1  4  0.0000  0.3578  0.7500  1.0
  Ga  Ga2  8  0.0000  0.3615  0.5182  1.0
  Ga  Ga3  4  0.0000  0.3701  0.2500  1.0
  Rh  Rh4  8  0.0000  0.2387  0.1211  1.0
]