data_[Li2Al2Ga28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2142]
_cell_length_b [9.0812]
_cell_length_c [7.8384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiAlGa14]
_chemical_formula_sum '[Li2 Al2 Ga28]'
_cell_volume [584.7029]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Al  Al1  2  0.0000  0.5000  0.5000  1
  Ga  Ga2  8  0.0000  0.2455  0.2531  1
  Ga  Ga3  8  0.2484  0.5000  0.2552  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Ga  Ga5  4  0.2500  0.2500  0.5000  1
  Ga  Ga6  2  0.0000  0.0000  0.0000  1
  Ga  Ga7  2  0.0000  0.5000  0.0000  1
]