data_[Li2Ti1Re1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1392]
_cell_length_b [2.9419]
_cell_length_c [5.3505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TiReN4]
_chemical_formula_sum '[Li2 Ti1 Re1 N4]'
_cell_volume [76.8393]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  Re  Re3  1  0.5000  0.5000  0.0000  1.0
  N  N4  2  0.2472  0.5000  0.2196  1.0
  N  N5  2  0.2604  0.0000  0.7709  1.0
]