data_[Tm12C2S6N4]
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
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2268]
_cell_length_b [10.7675]
_cell_length_c [6.5047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6CS3N2]
_chemical_formula_sum '[Tm12 C2 S6 N4]'
_cell_volume [413.2261]
_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  0.2368  0.1667  0.2106  1.0
  Tm  Tm1  4  0.2366  0.5000  0.2103  1.0
  C  C2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.1664  0.5000  1.0
  S  S4  2  0.0000  0.5000  0.5000  1.0
  N  N5  4  0.0000  0.3334  0.0000  1.0
]