data_[Ho20Mg4Sc4]
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 [11.4099]
_cell_length_b [6.5535]
_cell_length_c [12.0182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho5MgSc]
_chemical_formula_sum '[Ho20 Mg4 Sc4]'
_cell_volume [835.3500]
_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  0.0822  0.2735  0.0004  1
  Ho  Ho1  8  0.2216  0.3644  0.7362  1
  Ho  Ho2  4  0.0000  0.3985  0.2500  1
  Mg  Mg3  4  0.0000  0.0577  0.7500  1
  Sc  Sc4  4  0.2500  0.2500  0.5000  1
]