data_[Li4Sm2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1103]
_cell_length_b [6.4214]
_cell_length_c [6.6165]
_cell_angle_alpha [61.8992]
_cell_angle_beta [78.9920]
_cell_angle_gamma [65.1936]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2SmReN4]
_chemical_formula_sum '[Li4 Sm2 Re2 N8]'
_cell_volume [207.8673]
_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  0.3456  0.2246  0.6787  1.0
  Li  Li1  1  0.3737  0.6408  0.5170  1.0
  Li  Li2  1  0.5713  0.9228  0.4424  1.0
  Li  Li3  1  0.6008  0.8923  0.0544  1.0
  Sm  Sm4  1  0.4375  0.4278  0.0331  1.0
  Sm  Sm5  1  0.9408  0.2377  0.4795  1.0
  Re  Re6  1  0.1044  0.8943  0.1523  1.0
  Re  Re7  1  0.8466  0.6421  0.8009  1.0
  N  N8  1  0.1700  0.5127  0.7725  1.0
  N  N9  1  0.2032  0.9514  0.8600  1.0
  N  N10  1  0.2183  0.5418  0.3219  1.0
  N  N11  1  0.2563  0.0124  0.2766  1.0
  N  N12  1  0.6938  0.5436  0.6654  1.0
  N  N13  1  0.7038  0.9945  0.6737  1.0
  N  N14  1  0.7551  0.5342  0.1015  1.0
  N  N15  1  0.7787  0.0270  0.1700  1.0
]