data_[K4Pr4Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8718]
_cell_length_b [3.9527]
_cell_length_c [7.8930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPrReN3]
_chemical_formula_sum '[K4 Pr4 Re4 N12]'
_cell_volume [417.0414]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.1384  0.5000  0.0682  1
  Pr  Pr1  4  0.1628  0.5000  0.5900  1
  Re  Re2  4  0.0050  0.0000  0.3324  1
  N  N3  4  0.0096  0.5000  0.3291  1
  N  N4  4  0.1309  0.0000  0.7941  1
  N  N5  4  0.1527  0.0000  0.3664  1
]