data_[Ho12Mg4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6808]
_cell_length_b [6.7987]
_cell_length_c [5.8713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho3MgSc2]
_chemical_formula_sum '[Ho12 Mg4 Sc8]'
_cell_volume [665.8392]
_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
[
  Ho  Ho0  8  0.1689  0.1270  0.0847  1.0
  Ho  Ho1  4  0.0000  0.3722  0.2500  1.0
  Mg  Mg2  4  0.0000  0.1298  0.7500  1.0
  Sc  Sc3  8  0.1678  0.3783  0.5832  1.0
]