data_[Li24Zn4Ga2]
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 [P4/nbm]
_cell_length_a [5.4128]
_cell_length_b [5.4128]
_cell_length_c [20.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Li12Zn2Ga]
_chemical_formula_sum '[Li24 Zn4 Ga2]'
_cell_volume [606.6514]
_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  8  0.1850  0.3150  0.4385  1
  Li  Li1  8  0.2500  0.2500  0.9091  1
  Li  Li2  4  0.0000  0.0000  0.1953  1
  Li  Li3  4  0.0000  0.0000  0.3232  1
  Zn  Zn4  4  0.0000  0.5000  0.1966  1
  Ga  Ga5  2  0.0000  0.5000  0.0000  1
]