data_[Pr2In2Sn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.2716]
_cell_length_b [7.2716]
_cell_length_c [13.6590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [PrInSnBr6]
_chemical_formula_sum '[Pr2 In2 Sn2 Br12]'
_cell_volume [722.2430]
_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  0.3317  1.0
  In  In1  2  0.0000  0.0000  0.9991  1.0
  Sn  Sn2  2  0.0000  0.0000  0.6655  1.0
  Br  Br3  4  0.1823  0.8177  0.4992  1.0
  Br  Br4  4  0.2050  0.7950  0.1816  1.0
  Br  Br5  4  0.2157  0.7843  0.8210  1.0
]