data_[Cs4Tm8Cu12Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmcm]
_cell_length_a [4.1052]
_cell_length_b [14.6728]
_cell_length_c [17.2240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsTm2Cu3Se5]
_chemical_formula_sum '[Cs4 Tm8 Cu12 Se20]'
_cell_volume [1037.4741]
_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
[
  Cs  Cs0  4  0.0000  0.0612  0.2500  1
  Tm  Tm1  8  0.0000  0.1923  0.5918  1
  Cu  Cu2  8  0.0000  0.4172  0.5334  1
  Cu  Cu3  4  0.0000  0.3448  0.2500  1
  Se  Se4  8  0.0000  0.1699  0.0701  1
  Se  Se5  8  0.0000  0.4372  0.1123  1
  Se  Se6  4  0.0000  0.2383  0.7500  1
]