data_[Ho4Sc2Cr2S12]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2737]
_cell_length_b [6.8733]
_cell_length_c [11.0510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho2ScCrS6]
_chemical_formula_sum '[Ho4 Sc2 Cr2 S12]'
_cell_volume [399.4227]
_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  4  0.2034  0.1042  0.2454  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1044  0.1920  0.9362  1.0
  S  S4  4  0.2512  0.6786  0.9347  1.0
  S  S5  4  0.3769  0.0380  0.7397  1.0
]