data_[Pr3Y6Ho3S18]
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 [R3]
_cell_length_a [6.9972]
_cell_length_b [6.9972]
_cell_length_c [18.6050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrY2HoS6]
_chemical_formula_sum '[Pr3 Y6 Ho3 S18]'
_cell_volume [788.8795]
_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  0.8094  1.0
  Y  Y1  3  0.0000  0.0000  0.0142  1.0
  Y  Y2  3  0.0000  0.0000  0.5184  1.0
  Ho  Ho3  3  0.0000  0.0000  0.3163  1.0
  S  S4  9  0.0287  0.3614  0.5845  1.0
  S  S5  9  0.0510  0.6872  0.0835  1.0
]