data_[Pr8Tl2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6213]
_cell_length_b [4.3057]
_cell_length_c [8.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4TlBr5]
_chemical_formula_sum '[Pr8 Tl2 Br10]'
_cell_volume [709.5039]
_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  4  0.0034  0.0000  0.2445  1.0
  Pr  Pr1  4  0.1675  0.5000  0.0665  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1663  0.0000  0.8176  1.0
  Br  Br4  4  0.1681  0.0000  0.3108  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]