data_[Pr4Te2Br4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.1874]
_cell_length_b [11.1618]
_cell_length_c [8.4876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Pr2TeBr2N]
_chemical_formula_sum '[Pr4 Te2 Br4 N2]'
_cell_volume [396.7037]
_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  0.2836  0.2200  1
  Pr  Pr1  2  0.5000  0.4300  0.8549  1
  Te  Te2  2  0.0000  0.4164  0.5566  1
  Br  Br3  2  0.0000  0.2206  0.8855  1
  Br  Br4  2  0.5000  0.1111  0.3406  1
  N  N5  2  0.5000  0.3938  0.1879  1
]