data_[Tm12C6Se4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3105]
_cell_length_b [10.9287]
_cell_length_c [6.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6C3Se2]
_chemical_formula_sum '[Tm12 C6 Se4]'
_cell_volume [449.0107]
_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  0.2314  0.1683  0.1989  1
  Tm  Tm1  4  0.2351  0.5000  0.1950  1
  Se  Se2  4  0.0000  0.1659  0.5000  1
  C  C3  4  0.0000  0.3312  0.0000  1
  C  C4  2  0.0000  0.0000  0.0000  1
]