data_[In4Cu2]
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 [P-1]
_cell_length_a [4.1122]
_cell_length_b [5.1786]
_cell_length_c [6.7713]
_cell_angle_alpha [90.4747]
_cell_angle_beta [107.1309]
_cell_angle_gamma [111.7184]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Cu]
_chemical_formula_sum '[In4 Cu2]'
_cell_volume [126.8951]
_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  0.1064  0.2730  0.9244  1.0
  In  In1  2  0.2174  0.8104  0.6293  1.0
  Cu  Cu2  2  0.4641  0.5999  0.3308  1.0
]