data_[Li6Mg2Zn1]
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 [P-62m]
_cell_length_a [8.1716]
_cell_length_b [8.1716]
_cell_length_c [2.9817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li6Mg2Zn]
_chemical_formula_sum '[Li6 Mg2 Zn1]'
_cell_volume [172.4328]
_cell_formula_units_Z [1]
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  3  0.0000  0.3514  0.5000  1.0
  Li  Li1  3  0.0000  0.7121  0.0000  1.0
  Mg  Mg2  2  0.3333  0.6667  0.0000  1.0
  Zn  Zn3  1  0.0000  0.0000  0.5000  1.0
]