data_[Mg2Ir10Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.8320]
_cell_length_b [7.8320]
_cell_length_c [7.1672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [MgIr5Rh8]
_chemical_formula_sum '[Mg2 Ir10 Rh16]'
_cell_volume [439.6311]
_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  0.7500  1
  Ir  Ir1  8  0.0740  0.3122  0.1528  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  Rh  Rh3  8  0.0494  0.1593  0.8280  1
  Rh  Rh4  8  0.1505  0.2865  0.5044  1
]