data_[Li10Zn2Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.5183]
_cell_length_b [7.8543]
_cell_length_c [8.7499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5ZnCu6]
_chemical_formula_sum '[Li10 Zn2 Cu12]'
_cell_volume [306.1869]
_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  0.1672  0.5000  1
  Li  Li1  4  0.0000  0.3331  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Cu  Cu4  8  0.2487  0.1656  0.2492  1
  Cu  Cu5  4  0.2489  0.0000  0.7508  1
]