data_[Ho4Sc8Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4505]
_cell_length_b [21.5579]
_cell_length_c [4.4542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HoSc2Bi]
_chemical_formula_sum '[Ho4 Sc8 Bi4]'
_cell_volume [427.3552]
_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  4  0.0000  0.3089  0.7500  1.0
  Sc  Sc1  4  0.0000  0.0568  0.2500  1.0
  Sc  Sc2  4  0.0000  0.4457  0.2500  1.0
  Bi  Bi3  4  0.0000  0.1611  0.7500  1.0
]