data_[Li12Zn10Ga2]
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 [Immm]
_cell_length_a [3.8998]
_cell_length_b [7.8143]
_cell_length_c [11.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6Zn5Ga]
_chemical_formula_sum '[Li12 Zn10 Ga2]'
_cell_volume [365.1223]
_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  0.0000  0.2496  0.1659  1
  Li  Li1  4  0.0000  0.2503  0.5000  1
  Zn  Zn2  4  0.0000  0.0000  0.3323  1
  Zn  Zn3  4  0.0000  0.5000  0.3328  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Ga  Ga5  2  0.0000  0.0000  0.0000  1
]