data_[Pm2Tl2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [6.8709]
_cell_length_b [6.9279]
_cell_length_c [8.8546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmTlSnS4]
_chemical_formula_sum '[Pm2 Tl2 Sn2 S8]'
_cell_volume [402.8360]
_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
[
  Pm  Pm0  2  0.2170  0.2500  0.5538  1
  Tl  Tl1  2  0.2688  0.2500  0.0666  1
  Sn  Sn2  2  0.2394  0.7500  0.3239  1
  S  S3  4  0.0042  0.5107  0.7090  1
  S  S4  2  0.4534  0.7500  0.1566  1
  S  S5  2  0.4618  0.7500  0.5901  1
]