data_[In2Cu30]
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 [Pmma]
_cell_length_a [3.6093]
_cell_length_b [3.6094]
_cell_length_c [41.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [InCu15]
_chemical_formula_sum '[In2 Cu30]'
_cell_volume [546.0623]
_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
[
  In  In0  2  0.2500  0.0000  0.6639  1
  Cu  Cu1  2  0.2500  0.0000  0.0214  1
  Cu  Cu2  2  0.2500  0.0000  0.1070  1
  Cu  Cu3  2  0.2500  0.0000  0.1921  1
  Cu  Cu4  2  0.2500  0.0000  0.2779  1
  Cu  Cu5  2  0.2500  0.0000  0.7652  1
  Cu  Cu6  2  0.2500  0.0000  0.8505  1
  Cu  Cu7  2  0.2500  0.0000  0.9358  1
  Cu  Cu8  2  0.2500  0.5000  0.0643  1
  Cu  Cu9  2  0.2500  0.5000  0.1496  1
  Cu  Cu10  2  0.2500  0.5000  0.2351  1
  Cu  Cu11  2  0.2500  0.5000  0.3204  1
  Cu  Cu12  2  0.2500  0.5000  0.7221  1
  Cu  Cu13  2  0.2500  0.5000  0.8079  1
  Cu  Cu14  2  0.2500  0.5000  0.8930  1
  Cu  Cu15  2  0.2500  0.5000  0.9786  1
]