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 [Cm]
_cell_length_a [12.6982]
_cell_length_b [2.9889]
_cell_length_c [6.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InCu]
_chemical_formula_sum '[In6 Cu6]'
_cell_volume [220.3335]
_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  2  0.1721  0.5000  0.4093  1.0
  In  In1  2  0.2196  0.5000  0.9562  1.0
  In  In2  2  0.4559  0.5000  0.5370  1.0
  Cu  Cu3  2  0.0388  0.0000  0.0025  1.0
  Cu  Cu4  2  0.3479  0.0000  0.7530  1.0
  Cu  Cu5  2  0.4324  0.0000  0.1754  1.0
]