data_[Li2Zn8Ga6]
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 [8.7295]
_cell_length_b [2.8674]
_cell_length_c [10.7397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiZn4Ga3]
_chemical_formula_sum '[Li2 Zn8 Ga6]'
_cell_volume [265.6837]
_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  0.2353  0.5000  0.6254  1.0
  Zn  Zn2  4  0.2452  0.0000  0.1123  1.0
  Ga  Ga3  4  0.0061  0.0000  0.7693  1.0
  Ga  Ga4  2  0.0000  0.0000  0.5000  1.0
]