data_[Tl4In36Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [12.2890]
_cell_length_b [12.2890]
_cell_length_c [8.0612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [TlIn9Cu2]
_chemical_formula_sum '[Tl4 In36 Cu8]'
_cell_volume [1217.4146]
_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
[
  Tl  Tl0  4  0.0000  0.0000  0.5000  1
  In  In1  32  0.1243  0.1810  0.7901  1
  In  In2  4  0.0000  0.0000  0.0000  1
  Cu  Cu3  8  0.0000  0.2500  0.1250  1
]