data_[K4Nd4Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  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 [13.7736]
_cell_length_b [3.9433]
_cell_length_c [7.8760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNdReN3]
_chemical_formula_sum '[K4 Nd4 Re4 N12]'
_cell_volume [412.5019]
_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  0.1397  0.5000  0.0683  1
  Nd  Nd1  4  0.1625  0.5000  0.5874  1
  Re  Re2  4  0.0046  0.0000  0.3321  1
  N  N3  4  0.0095  0.5000  0.3287  1
  N  N4  4  0.1323  0.0000  0.7924  1
  N  N5  4  0.1539  0.0000  0.3680  1
]