data_[Li1Mg5Zn4]
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 [P4/mmm]
_cell_length_a [3.3288]
_cell_length_b [3.3288]
_cell_length_c [16.5727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiMg5Zn4]
_chemical_formula_sum '[Li1 Mg5 Zn4]'
_cell_volume [183.6358]
_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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  2  0.5000  0.5000  0.1067  1
  Mg  Mg2  2  0.5000  0.5000  0.3043  1
  Mg  Mg3  1  0.5000  0.5000  0.5000  1
  Zn  Zn4  2  0.0000  0.0000  0.2045  1
  Zn  Zn5  2  0.0000  0.0000  0.4016  1
]