data_[Sr2Pr10S16]
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 [I-4]
_cell_length_a [8.6943]
_cell_length_b [8.6943]
_cell_length_c [8.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [SrPr5S8]
_chemical_formula_sum '[Sr2 Pr10 S16]'
_cell_volume [657.3028]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.7500  1.0
  Pr  Pr1  8  0.1247  0.7506  0.1228  1.0
  Pr  Pr2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.0754  0.8292  0.8000  1.0
  S  S4  8  0.0758  0.6775  0.4439  1.0
]