data_[Pr8Te4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [8.6548]
_cell_length_b [7.2055]
_cell_length_c [7.4936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Pr2TeS]
_chemical_formula_sum '[Pr8 Te4 S4]'
_cell_volume [467.3197]
_cell_formula_units_Z [4]
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  4  0.1617  0.7500  0.0000  1
  Pr  Pr1  4  0.4011  0.2500  0.0000  1
  Te  Te2  4  0.1211  0.1051  0.7500  1
  S  S3  4  0.3781  0.5749  0.7500  1
]