data_[Pr8Ho2S14]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3613]
_cell_length_b [3.9587]
_cell_length_c [11.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr4HoS7]
_chemical_formula_sum '[Pr8 Ho2 S14]'
_cell_volume [609.0376]
_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  0.1113  0.0000  0.4253  1
  Pr  Pr1  2  0.1984  0.5000  0.8067  1
  Pr  Pr2  2  0.3016  0.0000  0.1932  1
  Pr  Pr3  2  0.4991  0.5000  0.9967  1
  Ho  Ho4  2  0.3876  0.5000  0.5776  1
  S  S5  2  0.0384  0.0000  0.7769  1
  S  S6  2  0.1600  0.5000  0.0508  1
  S  S7  2  0.2434  0.5000  0.3585  1
  S  S8  2  0.2694  0.0000  0.6470  1
  S  S9  2  0.3381  0.0000  0.9481  1
  S  S10  2  0.4591  0.5000  0.2151  1
  S  S11  2  0.4936  0.0000  0.5040  1
]