data_[Tm8N4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1133]
_cell_length_b [3.7573]
_cell_length_c [10.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2NCl3]
_chemical_formula_sum '[Tm8 N4 Cl12]'
_cell_volume [581.7476]
_cell_formula_units_Z [4]
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  0.0789  0.5000  0.4594  1.0
  Tm  Tm1  4  0.1376  0.0000  0.7918  1.0
  N  N2  4  0.0768  0.5000  0.6576  1.0
  Cl  Cl3  4  0.0391  0.0000  0.2537  1.0
  Cl  Cl4  4  0.1705  0.5000  0.0120  1.0
  Cl  Cl5  4  0.2134  0.0000  0.6147  1.0
]