data_[Al4In4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1117]
_cell_length_b [6.4457]
_cell_length_c [6.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlInGa3]
_chemical_formula_sum '[Al4 In4 Ga12]'
_cell_volume [423.0816]
_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
[
  Al  Al0  4  0.1376  0.0000  0.9900  1.0
  In  In1  4  0.1246  0.5000  0.2230  1.0
  Ga  Ga2  8  0.1296  0.2929  0.6956  1.0
  Ga  Ga3  4  0.1039  0.0000  0.3729  1.0
]