data_[Tm2Re2N6]
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 [P2_1/m]
_cell_length_a [5.5553]
_cell_length_b [3.6818]
_cell_length_c [7.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmReN3]
_chemical_formula_sum '[Tm2 Re2 N6]'
_cell_volume [151.2042]
_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  2  0.0134  0.2500  0.8150  1.0
  Re  Re1  2  0.4977  0.2500  0.3238  1.0
  N  N2  2  0.2001  0.2500  0.1126  1.0
  N  N3  2  0.2120  0.7500  0.7250  1.0
  N  N4  2  0.4215  0.7500  0.3946  1.0
]