data_[Li4Mg2Zn4]
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 [Pmmn]
_cell_length_a [2.7770]
_cell_length_b [4.5736]
_cell_length_c [13.0118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li2MgZn2]
_chemical_formula_sum '[Li4 Mg2 Zn4]'
_cell_volume [165.2658]
_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  0.0000  0.8566  1.0
  Li  Li1  2  0.0000  0.5000  0.5363  1.0
  Mg  Mg2  2  0.0000  0.0000  0.2500  1.0
  Zn  Zn3  2  0.0000  0.0000  0.6514  1.0
  Zn  Zn4  2  0.0000  0.5000  0.9605  1.0
]