data_[Li2Sc2Zn12]
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 [Amm2]
_cell_length_a [4.3768]
_cell_length_b [5.8388]
_cell_length_c [9.9996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiScZn6]
_chemical_formula_sum '[Li2 Sc2 Zn12]'
_cell_volume [255.5459]
_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  0.9128  1.0
  Sc  Sc1  2  0.5000  0.0000  0.5866  1.0
  Zn  Zn2  4  0.0000  0.2357  0.1691  1.0
  Zn  Zn3  4  0.5000  0.2421  0.3335  1.0
  Zn  Zn4  2  0.0000  0.0000  0.4114  1.0
  Zn  Zn5  2  0.5000  0.0000  0.0842  1.0
]