data_[Pr2Tl4Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7337]
_cell_length_b [8.2032]
_cell_length_c [13.3245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrTl2AgBr6]
_chemical_formula_sum '[Pr2 Tl4 Ag2 Br12]'
_cell_volume [697.0502]
_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  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2849  0.0816  0.2559  1
  Ag  Ag2  2  0.5000  0.0000  0.0000  1
  Br  Br3  4  0.1445  0.0267  0.7556  1
  Br  Br4  4  0.2436  0.7004  0.5536  1
  Br  Br5  4  0.3599  0.1939  0.5525  1
]