data_[Tm4Cu8Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2807]
_cell_length_b [3.9436]
_cell_length_c [6.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCu2Se3]
_chemical_formula_sum '[Tm4 Cu8 Se12]'
_cell_volume [547.2550]
_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  4  0.1512  0.0000  0.0172  1.0
  Cu  Cu1  4  0.0484  0.5000  0.1672  1.0
  Cu  Cu2  4  0.2084  0.0000  0.4276  1.0
  Se  Se3  4  0.0739  0.5000  0.8306  1.0
  Se  Se4  4  0.0888  0.0000  0.3500  1.0
  Se  Se5  4  0.2444  0.5000  0.2291  1.0
]