data_[Ho3Pa3Pb6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1924]
_cell_length_b [7.1924]
_cell_length_c [18.3750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HoPa(PbS3)2]
_chemical_formula_sum '[Ho3 Pa3 Pb6 S18]'
_cell_volume [823.1981]
_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
[
  Ho  Ho0  3  0.0000  0.0000  0.1811  1
  Pa  Pa1  3  0.0000  0.0000  0.6790  1
  Pb  Pb2  3  0.0000  0.0000  0.4731  1
  Pb  Pb3  3  0.0000  0.0000  0.9754  1
  S  S4  9  0.0689  0.3413  0.7543  1
  S  S5  9  0.0708  0.7167  0.2557  1
]