data_[In3Ga3Cu3O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4330]
_cell_length_b [3.4330]
_cell_length_c [24.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [InGaCuO4]
_chemical_formula_sum '[In3 Ga3 Cu3 O12]'
_cell_volume [253.3514]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9990  1.0
  Ga  Ga1  3  0.0000  0.0000  0.7884  1.0
  Cu  Cu2  3  0.0000  0.0000  0.2134  1.0
  O  O3  3  0.0000  0.0000  0.1271  1.0
  O  O4  3  0.0000  0.0000  0.2933  1.0
  O  O5  3  0.0000  0.0000  0.7109  1.0
  O  O6  3  0.0000  0.0000  0.8678  1.0
]