data_[In2Ga2Cu8]
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 [8.6050]
_cell_length_b [4.2144]
_cell_length_c [4.9218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InGaCu4]
_chemical_formula_sum '[In2 Ga2 Cu8]'
_cell_volume [178.0769]
_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  0.5000  0.0000  1.0
  Ga  Ga1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  4  0.1885  0.5000  0.5818  1.0
  Cu  Cu3  4  0.1902  0.0000  0.8960  1.0
]