data_[Li14Ca6Zn8]
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 [16.2691]
_cell_length_b [4.5268]
_cell_length_c [10.3653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Ca3Zn4]
_chemical_formula_sum '[Li14 Ca6 Zn8]'
_cell_volume [611.1717]
_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  0.0133  0.5000  0.7983  1
  Li  Li1  4  0.1593  0.0000  0.9226  1
  Li  Li2  4  0.1805  0.5000  0.5147  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Ca  Ca4  4  0.1948  0.5000  0.2093  1
  Ca  Ca5  2  0.0000  0.0000  0.5000  1
  Zn  Zn6  4  0.1085  0.0000  0.3241  1
  Zn  Zn7  4  0.1624  0.5000  0.7649  1
]