data_[Li6Mg6Zn4]
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/m]
_cell_length_a [18.6154]
_cell_length_b [3.5970]
_cell_length_c [4.4593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mg3Zn2]
_chemical_formula_sum '[Li6 Mg6 Zn4]'
_cell_volume [291.9376]
_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  4  0.1368  0.0000  0.6376  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1324  0.5000  0.1328  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn4  4  0.2484  0.5000  0.7467  1.0
]