data_[Ho4Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5616]
_cell_length_b [3.4147]
_cell_length_c [19.8239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ho2Sc3]
_chemical_formula_sum '[Ho4 Sc6]'
_cell_volume [782.6428]
_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
[
  Ho  Ho0  2  0.0396  0.5000  0.5480  1
  Ho  Ho1  2  0.2644  0.0000  0.6381  1
  Sc  Sc2  2  0.1459  0.0000  0.4139  1
  Sc  Sc3  2  0.3048  0.5000  0.5053  1
  Sc  Sc4  2  0.4246  0.0000  0.3947  1
]