data_[Tm12Te4C4Se4]
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/c]
_cell_length_a [6.7376]
_cell_length_b [13.5959]
_cell_length_c [6.4936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm3TeCSe]
_chemical_formula_sum '[Tm12 Te4 C4 Se4]'
_cell_volume [575.3807]
_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  8  0.2111  0.0530  0.9917  1
  Tm  Tm1  4  0.0000  0.2208  0.2500  1
  Te  Te2  4  0.0000  0.2519  0.7500  1
  C  C3  4  0.0000  0.0518  0.2500  1
  Se  Se4  4  0.0000  0.4286  0.2500  1
]