data_[Tm12C4Se6N2]
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
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3604]
_cell_length_b [11.0125]
_cell_length_c [6.7836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6C2Se3N]
_chemical_formula_sum '[Tm12 C4 Se6 N2]'
_cell_volume [451.3557]
_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  8  0.2336  0.1667  0.2006  1
  Tm  Tm1  4  0.2332  0.5000  0.2011  1
  Se  Se2  4  0.0000  0.1668  0.5000  1
  C  C3  4  0.0000  0.3332  0.0000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]