data_[Li6Zn4Ga8]
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 [9.6488]
_cell_length_b [4.3549]
_cell_length_c [8.0967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(ZnGa2)2]
_chemical_formula_sum '[Li6 Zn4 Ga8]'
_cell_volume [291.2018]
_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  0.1664  0.5000  0.6643  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1117  0.5000  0.2802  1
  Ga  Ga3  4  0.0548  0.0000  0.3875  1
  Ga  Ga4  4  0.2223  0.5000  0.0597  1
]