data_[Li12Ca4Zn8]
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 [C2/m]
_cell_length_a [14.0213]
_cell_length_b [4.3833]
_cell_length_c [9.2879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3CaZn2]
_chemical_formula_sum '[Li12 Ca4 Zn8]'
_cell_volume [480.6567]
_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  4  0.0595  0.0000  0.4028  1.0
  Li  Li1  4  0.0783  0.5000  0.6859  1.0
  Li  Li2  4  0.2358  0.5000  0.5794  1.0
  Ca  Ca3  4  0.1289  0.0000  0.0004  1.0
  Zn  Zn4  4  0.0887  0.5000  0.2246  1.0
  Zn  Zn5  4  0.2090  0.0000  0.7346  1.0
]