data_[Li12Zn12Ga4]
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 [Pnma]
_cell_length_a [9.8517]
_cell_length_b [4.3906]
_cell_length_c [10.1935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li3Zn3Ga]
_chemical_formula_sum '[Li12 Zn12 Ga4]'
_cell_volume [440.9160]
_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  4  0.0197  0.7500  0.3161  1
  Li  Li1  4  0.1859  0.7500  0.8420  1
  Li  Li2  4  0.2447  0.7500  0.1573  1
  Zn  Zn3  4  0.0314  0.2500  0.9297  1
  Zn  Zn4  4  0.0659  0.2500  0.4443  1
  Zn  Zn5  4  0.2019  0.7500  0.5175  1
  Ga  Ga6  4  0.0886  0.2500  0.1817  1
]