data_[Li36Mg3Zn18]
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 [R-3]
_cell_length_a [9.6221]
_cell_length_b [9.6221]
_cell_length_c [12.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12MgZn6]
_chemical_formula_sum '[Li36 Mg3 Zn18]'
_cell_volume [983.9741]
_cell_formula_units_Z [3]
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  18  0.0328  0.1944  0.8071  1.0
  Li  Li1  18  0.0607  0.8390  0.4154  1.0
  Mg  Mg2  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  18  0.0249  0.4385  0.6988  1.0
]