data_[Li8Y4Re4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.1032]
_cell_length_b [6.9840]
_cell_length_c [7.8596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2YReN4]
_chemical_formula_sum '[Li8 Y4 Re4 N16]'
_cell_volume [463.3673]
_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
[
  Li  Li0  4  0.0612  0.9966  0.8137  1.0
  Li  Li1  4  0.2480  0.7562  0.3204  1.0
  Y  Y2  4  0.0499  0.4991  0.8119  1.0
  Re  Re3  4  0.2430  0.2467  0.3311  1.0
  N  N4  4  0.0818  0.2232  0.3360  1.0
  N  N5  4  0.0831  0.7676  0.3728  1.0
  N  N6  4  0.2000  0.4776  0.1862  1.0
  N  N7  4  0.2487  0.0331  0.1952  1.0
]