data_[Pr2Tl2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8823]
_cell_length_b [4.1858]
_cell_length_c [10.3583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrTlSnS3]
_chemical_formula_sum '[Pr2 Tl2 Sn2 S6]'
_cell_volume [341.3874]
_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  2  0.0860  0.7500  0.6676  1.0
  Tl  Tl1  2  0.4143  0.7500  0.3272  1.0
  Sn  Sn2  2  0.2418  0.2500  0.9811  1.0
  S  S3  2  0.0409  0.7500  0.1713  1.0
  S  S4  2  0.2140  0.2500  0.5081  1.0
  S  S5  2  0.3727  0.7500  0.8445  1.0
]