data_[Li2Zn12Ga4]
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 [8.7731]
_cell_length_b [5.0623]
_cell_length_c [7.7210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Zn3Ga)2]
_chemical_formula_sum '[Li2 Zn12 Ga4]'
_cell_volume [305.0871]
_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  0.0000  0.0000  1.0
  Zn  Zn1  8  0.1414  0.2494  0.7043  1.0
  Zn  Zn2  4  0.1533  0.0000  0.3960  1.0
  Ga  Ga3  4  0.0612  0.5000  0.1921  1.0
]