data_[Cs9Tm9Pa3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0533]
_cell_length_b [8.0533]
_cell_length_c [24.5814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Tm3PaS8]
_chemical_formula_sum '[Cs9 Tm9 Pa3 S24]'
_cell_volume [1380.6497]
_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
[
  Cs  Cs0  9  0.0000  0.5000  0.5000  1
  Tm  Tm1  9  0.0000  0.5000  0.0000  1
  Pa  Pa2  3  -0.0000  -0.0000  0.0000  1
  S  S3  18  0.0005  0.5003  0.2743  1
  S  S4  6  0.0000  0.0000  0.2744  1
]