data_[Y20Mg4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0425]
_cell_length_b [7.6007]
_cell_length_c [12.0565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5MgRh]
_chemical_formula_sum '[Y20 Mg4 Rh4]'
_cell_volume [797.8289]
_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
[
  Y  Y0  8  0.1303  0.3337  0.0719  1
  Y  Y1  8  0.2498  0.1633  0.6219  1
  Y  Y2  4  0.0000  0.0191  0.2500  1
  Mg  Mg3  4  0.0000  0.3882  0.7500  1
  Rh  Rh4  4  0.0000  0.0000  0.0000  1
]