data_[Sr8Pr8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.5821]
_cell_length_b [7.7851]
_cell_length_c [7.8865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sr2Pr2S5]
_chemical_formula_sum '[Sr8 Pr8 S20]'
_cell_volume [895.2993]
_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
[
  Sr  Sr0  8  0.0000  0.1554  0.6575  1.0
  Pr  Pr1  8  0.1962  0.0000  0.0000  1.0
  S  S2  16  0.1452  0.1616  0.3474  1.0
  S  S3  4  0.0000  0.0000  0.0000  1.0
]