data_[In6Cu6]
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 [Pmmn]
_cell_length_a [3.0749]
_cell_length_b [17.1438]
_cell_length_c [4.4059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [InCu]
_chemical_formula_sum '[In6 Cu6]'
_cell_volume [232.2622]
_cell_formula_units_Z [6]
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  0.0000  0.1582  0.4276  1
  In  In1  2  0.0000  0.5000  0.1419  1
  Cu  Cu2  4  0.0000  0.3046  0.0761  1
  Cu  Cu3  2  0.0000  0.0000  0.3535  1
]