data_[Pr6Ho4Sc2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8580]
_cell_length_b [11.7913]
_cell_length_c [6.9457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Ho2ScS6]
_chemical_formula_sum '[Pr6 Ho4 Sc2 S12]'
_cell_volume [530.5182]
_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
[
  Pr  Pr0  4  0.0000  0.1693  0.5000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.0000  0.3335  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2369  0.1625  0.2244  1.0
  S  S5  4  0.2499  0.5000  0.2274  1.0
]