data_[In20Cu4]
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 [I4/mcm]
_cell_length_a [6.9469]
_cell_length_b [6.9469]
_cell_length_c [12.0962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [In5Cu]
_chemical_formula_sum '[In20 Cu4]'
_cell_volume [583.7630]
_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  16  0.1550  0.3450  0.3575  1.0
  In  In1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.0000  0.2500  1.0
]