data_[Pr2Dy6Ho4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8343]
_cell_length_b [11.8060]
_cell_length_c [6.7786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrDy3(HoS3)2]
_chemical_formula_sum '[Pr2 Dy6 Ho4 S12]'
_cell_volume [515.1155]
_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  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  4  0.0000  0.1613  0.5000  1.0
  Dy  Dy2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  4  0.0000  0.3341  0.0000  1.0
  S  S4  8  0.2418  0.3271  0.7438  1.0
  S  S5  4  0.2392  0.5000  0.2517  1.0
]