data_[Tm12Te6C4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  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 [17.8138]
_cell_length_b [3.8729]
_cell_length_c [8.2641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Te3C2Se]
_chemical_formula_sum '[Tm12 Te6 C4 Se2]'
_cell_volume [548.0882]
_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  4  0.0318  0.0000  0.2572  1.0
  Tm  Tm1  4  0.1734  0.5000  0.1423  1.0
  Tm  Tm2  4  0.1824  0.5000  0.5508  1.0
  Te  Te3  4  0.1569  0.0000  0.8340  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  C  C5  4  0.1714  0.0000  0.3372  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]