data_[Pr3Dy3Ho6S18]
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 [R3]
_cell_length_a [6.9835]
_cell_length_b [6.9835]
_cell_length_c [18.5420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrDy(HoS3)2]
_chemical_formula_sum '[Pr3 Dy3 Ho6 S18]'
_cell_volume [783.1248]
_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  0.8086  1.0
  Dy  Dy1  3  0.0000  0.0000  0.3154  1.0
  Ho  Ho2  3  0.0000  0.0000  0.0138  1.0
  Ho  Ho3  3  0.0000  0.0000  0.5177  1.0
  S  S4  9  0.0321  0.3597  0.5847  1.0
  S  S5  9  0.0528  0.6913  0.0840  1.0
]