data_[Li4Mg6Zn2]
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 [Pmc2_1]
_cell_length_a [4.8550]
_cell_length_b [9.1940]
_cell_length_c [5.2652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2Mg3Zn]
_chemical_formula_sum '[Li4 Mg6 Zn2]'
_cell_volume [235.0215]
_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  0.2309  0.4523  1
  Li  Li1  2  0.5000  0.4173  0.5956  1
  Mg  Mg2  2  0.0000  0.4126  0.9353  1
  Mg  Mg3  2  0.5000  0.0821  0.6381  1
  Mg  Mg4  2  0.5000  0.2517  0.1222  1
  Zn  Zn5  2  0.0000  0.0819  0.9579  1
]