data_[K4Li4Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.7182]
_cell_length_b [10.6528]
_cell_length_c [5.4572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiReN3]
_chemical_formula_sum '[K4 Li4 Re4 N12]'
_cell_volume [331.6795]
_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  0.0000  0.2724  0.2500  1.0
  Li  Li1  4  0.0000  0.4295  0.7500  1.0
  Re  Re2  4  0.0000  0.0549  0.7500  1.0
  N  N3  8  0.2296  0.0115  0.5006  1.0
  N  N4  4  0.0000  0.2205  0.7500  1.0
]