data_[Tm4Re4N14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1155]
_cell_length_b [9.5624]
_cell_length_c [5.2087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Re2N7]
_chemical_formula_sum '[Tm4 Re4 N14]'
_cell_volume [345.3738]
_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
[
  Tm  Tm0  4  0.0000  0.3090  0.5000  1.0
  Re  Re1  4  0.2293  0.0000  0.8954  1.0
  N  N2  8  0.2378  0.1565  0.7046  1.0
  N  N3  4  0.0941  0.5000  0.7846  1.0
  N  N4  2  0.0000  0.0000  0.0000  1.0
]