data_[Li4Tb2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5612]
_cell_length_b [6.6103]
_cell_length_c [6.8866]
_cell_angle_alpha [102.1946]
_cell_angle_beta [108.2145]
_cell_angle_gamma [116.0874]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TbReN4]
_chemical_formula_sum '[Li4 Tb2 Re2 N8]'
_cell_volume [232.5568]
_cell_formula_units_Z [2]
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  0.0401  0.0492  0.5836  1.0
  Li  Li1  1  0.4187  0.9964  0.4268  1.0
  Li  Li2  1  0.5149  0.9414  0.9481  1.0
  Li  Li3  1  0.5667  0.4922  0.0679  1.0
  Tb  Tb4  1  0.5096  0.5503  0.5603  1.0
  Tb  Tb5  1  0.9911  0.4486  0.9344  1.0
  Re  Re6  1  0.0886  0.9977  0.0799  1.0
  Re  Re7  1  0.9100  0.5104  0.4155  1.0
  N  N8  1  0.1665  0.2168  0.9437  1.0
  N  N9  1  0.1906  0.1489  0.3766  1.0
  N  N10  1  0.2643  0.7157  0.5523  1.0
  N  N11  1  0.2732  0.8565  0.0816  1.0
  N  N12  1  0.7506  0.7366  0.9374  1.0
  N  N13  1  0.7697  0.3163  0.1195  1.0
  N  N14  1  0.7702  0.6953  0.4097  1.0
  N  N15  1  0.7751  0.3276  0.5626  1.0
]