data_[Li8Zn8Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3625]
_cell_length_b [28.0358]
_cell_length_c [2.8620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li4Zn4Ga3]
_chemical_formula_sum '[Li8 Zn8 Ga6]'
_cell_volume [350.0476]
_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  4  0.0000  0.1837  0.0000  1
  Li  Li1  4  0.0000  0.4503  0.0000  1
  Zn  Zn2  4  0.0000  0.0907  0.5000  1
  Zn  Zn3  4  0.0000  0.2708  0.5000  1
  Ga  Ga4  4  0.0000  0.3631  0.5000  1
  Ga  Ga5  2  0.0000  0.0000  0.5000  1
]