data_[In4Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0244]
_cell_length_b [5.0140]
_cell_length_c [9.6093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [InCu6]
_chemical_formula_sum '[In4 Cu24]'
_cell_volume [386.6276]
_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
[
  In  In0  4  0.2440  0.7500  0.0612  1
  Cu  Cu1  8  0.0553  0.5079  0.3018  1
  Cu  Cu2  4  0.0635  0.2500  0.0769  1
  Cu  Cu3  4  0.1091  0.7500  0.5223  1
  Cu  Cu4  4  0.1644  0.2500  0.8386  1
  Cu  Cu5  4  0.1913  0.7500  0.7732  1
]