data_[Li28Zn4Ga12]
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 [Cmcm]
_cell_length_a [2.6902]
_cell_length_b [21.5357]
_cell_length_c [13.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li7ZnGa3]
_chemical_formula_sum '[Li28 Zn4 Ga12]'
_cell_volume [759.0658]
_cell_formula_units_Z [4]
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  0.2796  0.0921  1
  Li  Li1  8  0.0000  0.4099  0.0848  1
  Li  Li2  8  0.0000  0.4479  0.6363  1
  Li  Li3  4  0.0000  0.3114  0.7500  1
  Zn  Zn4  4  0.0000  0.0358  0.7500  1
  Ga  Ga5  8  0.0000  0.1556  0.0683  1
  Ga  Ga6  4  0.0000  0.1577  0.7500  1
]