data_[Li12Sc2Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0816]
_cell_length_b [9.0356]
_cell_length_c [9.0799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6ScZn6]
_chemical_formula_sum '[Li12 Sc2 Zn12]'
_cell_volume [416.9055]
_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  0.0000  0.0000  0.3419  1
  Li  Li1  4  0.0000  0.2963  0.5000  1
  Li  Li2  4  0.0000  0.3545  0.0000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  8  0.2500  0.2500  0.2500  1
  Zn  Zn5  4  0.0000  0.5000  0.2956  1
]