data_[Li6Zn12Ga4]
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 [C2/m]
_cell_length_a [12.8333]
_cell_length_b [4.4591]
_cell_length_c [7.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(Zn3Ga)2]
_chemical_formula_sum '[Li6 Zn12 Ga4]'
_cell_volume [341.0086]
_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  0.1766  0.0000  0.8830  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.0456  0.5000  0.7767  1
  Zn  Zn3  4  0.1580  0.5000  0.2228  1
  Zn  Zn4  4  0.2138  0.5000  0.6698  1
  Ga  Ga5  4  0.0907  0.0000  0.4298  1
]