data_[Li2Zn6Ga8]
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 [16.3663]
_cell_length_b [4.0287]
_cell_length_c [4.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiZn3Ga4]
_chemical_formula_sum '[Li2 Zn6 Ga8]'
_cell_volume [268.0754]
_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  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn1  4  0.1139  0.0000  0.0651  1.0
  Zn  Zn2  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga3  4  0.1159  0.5000  0.5758  1.0
  Ga  Ga4  4  0.2463  0.5000  0.2383  1.0
]