data_[Tm12Cu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2382]
_cell_length_b [7.8084]
_cell_length_c [11.6374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6CuTe2]
_chemical_formula_sum '[Tm12 Cu2 Te4]'
_cell_volume [484.9942]
_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  0.0895  0.7014  0.9584  1.0
  Tm  Tm1  4  0.3288  0.1732  0.9605  1.0
  Tm  Tm2  4  0.3809  0.5307  0.7432  1.0
  Cu  Cu3  2  0.5000  0.0000  0.5000  1.0
  Te  Te4  4  0.1350  0.6098  0.2403  1.0
]