data_[Pr4Sn2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.9116]
_cell_length_b [11.3551]
_cell_length_c [3.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Pr2SnS5]
_chemical_formula_sum '[Pr4 Sn2 S10]'
_cell_volume [359.1848]
_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
[
  Pr  Pr0  4  0.0664  0.6696  0.5000  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1503  0.2016  0.0000  1.0
  S  S3  4  0.1865  0.9254  0.5000  1.0
  S  S4  2  0.0000  0.5000  0.0000  1.0
]