data_[Pr2Mn2Tl2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9537]
_cell_length_b [4.1962]
_cell_length_c [9.4895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrMnTlS3]
_chemical_formula_sum '[Pr2 Mn2 Tl2 S6]'
_cell_volume [346.8809]
_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  0.3391  0.7500  0.8483  1.0
  Mn  Mn1  2  0.0815  0.2500  0.6097  1.0
  Tl  Tl2  2  0.1919  0.2500  0.2069  1.0
  S  S3  2  0.1216  0.2500  0.8628  1.0
  S  S4  2  0.1855  0.7500  0.5340  1.0
  S  S5  2  0.4446  0.7500  0.1541  1.0
]