data_[Li84Ca8Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.3456]
_cell_length_b [13.3456]
_cell_length_c [13.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Li21(CaZn3)2]
_chemical_formula_sum '[Li84 Ca8 Zn24]'
_cell_volume [2376.8937]
_cell_formula_units_Z [4]
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  48  0.0000  0.1739  0.1739  1
  Li  Li1  32  0.1091  0.3909  0.1091  1
  Li  Li2  4  0.0000  0.0000  0.0000  1
  Ca  Ca3  8  0.2500  0.2500  0.2500  1
  Zn  Zn4  24  0.0000  0.0000  0.2623  1
]