data_[Tm2C2N4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3472]
_cell_length_b [3.5527]
_cell_length_c [7.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmCN2Cl]
_chemical_formula_sum '[Tm2 C2 N4 Cl2]'
_cell_volume [137.5372]
_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  0.1415  0.7500  0.2299  1
  C  C1  2  0.3594  0.7500  0.8550  1
  N  N2  2  0.1316  0.7500  0.8817  1
  N  N3  2  0.4179  0.2500  0.1653  1
  Cl  Cl4  2  0.2386  0.2500  0.5216  1
]