data_[Tm2Br8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3881]
_cell_length_b [4.0750]
_cell_length_c [6.9071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(Br2N)2]
_chemical_formula_sum '[Tm2 Br8 N4]'
_cell_volume [515.5847]
_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  0.0000  0.0000  0.0000  1
  Br  Br1  4  0.0606  0.0000  0.6456  1
  Br  Br2  4  0.0973  0.5000  0.1208  1
  N  N3  4  0.2384  0.5000  0.7385  1
]