data_[Pr2Tl2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7083]
_cell_length_b [6.6903]
_cell_length_c [8.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrTlGeS4]
_chemical_formula_sum '[Pr2 Tl2 Ge2 S8]'
_cell_volume [379.6176]
_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  0.2321  0.7500  0.5555  1.0
  Tl  Tl1  2  0.2660  0.7500  0.0702  1.0
  Ge  Ge2  2  0.2229  0.2500  0.3189  1.0
  S  S3  4  0.0023  0.5075  0.2828  1.0
  S  S4  2  0.4132  0.2500  0.5729  1.0
  S  S5  2  0.4223  0.2500  0.1591  1.0
]