data_[Pr3Y9Ho12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8498]
_cell_length_b [7.8498]
_cell_length_c [19.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrY3(HoS2)4]
_chemical_formula_sum '[Pr3 Y9 Ho12 S24]'
_cell_volume [1027.8945]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Y  Y1  9  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  9  0.0000  0.5000  0.0000  1.0
  Ho  Ho3  3  0.0000  0.0000  0.0000  1.0
  S  S4  18  0.0070  0.5035  0.7471  1.0
  S  S5  6  0.0000  0.0000  0.2511  1.0
]