data_[Pr1Tl1S1O6]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7613]
_cell_length_b [5.1886]
_cell_length_c [6.6566]
_cell_angle_alpha [109.8964]
_cell_angle_beta [110.7002]
_cell_angle_gamma [90.1267]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrTlSO6]
_chemical_formula_sum '[Pr1 Tl1 S1 O6]'
_cell_volume [143.2373]
_cell_formula_units_Z [1]
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  1  0.2592  0.7547  0.3316  1.0
  Tl  Tl1  1  0.0110  0.9739  0.8321  1.0
  S  S2  1  0.5430  0.4680  0.8337  1.0
  O  O3  1  0.1729  0.1114  0.1779  1.0
  O  O4  1  0.4126  0.6470  0.7013  1.0
  O  O5  1  0.4154  0.1734  0.6932  1.0
  O  O6  1  0.4830  0.5505  0.0467  1.0
  O  O7  1  0.8226  0.8226  0.4852  1.0
  O  O8  1  0.8805  0.4986  0.8987  1.0
]