data_[In2Ga4Cu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8806]
_cell_length_b [12.8412]
_cell_length_c [4.5399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In(GaCu4)2]
_chemical_formula_sum '[In2 Ga4 Cu16]'
_cell_volume [307.3543]
_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  0.0000  0.0000  0.5000  1
  Ga  Ga1  4  0.0000  0.3165  0.0000  1
  Cu  Cu2  8  0.2354  0.1368  0.2303  1
  Cu  Cu3  4  0.0000  0.2014  0.5000  1
  Cu  Cu4  4  0.0106  0.5000  0.2590  1
]