data_[Al4Ga6]
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 [P1]
_cell_length_a [5.1420]
_cell_length_b [5.4301]
_cell_length_c [7.3386]
_cell_angle_alpha [83.9391]
_cell_angle_beta [73.6042]
_cell_angle_gamma [66.9931]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al2Ga3]
_chemical_formula_sum '[Al4 Ga6]'
_cell_volume [180.9357]
_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  1  0.2216  0.5739  0.9004  1.0
  Al  Al1  1  0.5320  0.9315  0.3949  1.0
  Al  Al2  1  0.6609  0.5286  0.1055  1.0
  Al  Al3  1  0.9357  0.9663  0.5999  1.0
  Ga  Ga4  1  0.0903  0.4624  0.2959  1.0
  Ga  Ga5  1  0.0910  0.9822  0.2009  1.0
  Ga  Ga6  1  0.2996  0.0542  0.7887  1.0
  Ga  Ga7  1  0.4679  0.4436  0.5066  1.0
  Ga  Ga8  1  0.6704  0.0449  1.0000  1.0
  Ga  Ga9  1  0.8206  0.5123  0.7072  1.0
]