data_[Li20Mg4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5321]
_cell_length_b [7.7434]
_cell_length_c [10.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5MgZn]
_chemical_formula_sum '[Li20 Mg4 Zn4]'
_cell_volume [507.6413]
_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  0.0987  0.4868  0.6340  1.0
  Li  Li1  8  0.1660  0.1033  0.0541  1.0
  Li  Li2  4  0.0000  0.2221  0.2500  1.0
  Mg  Mg3  4  0.0000  0.1605  0.7500  1.0
  Zn  Zn4  4  0.2500  0.2500  0.5000  1.0
]