data_[Al6Ga14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0030]
_cell_length_b [4.0233]
_cell_length_c [5.8104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al3Ga7]
_chemical_formula_sum '[Al6 Ga14]'
_cell_volume [359.3250]
_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
[
  Al  Al0  4  0.2019  0.0000  0.5980  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0984  0.5000  0.8006  1.0
  Ga  Ga3  4  0.1027  0.5000  0.3020  1.0
  Ga  Ga4  4  0.2009  0.0000  0.0981  1.0
  Ga  Ga5  2  0.0000  0.0000  0.5000  1.0
]