data_[Li2Zn4Cu12]
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 [7.4229]
_cell_length_b [5.0964]
_cell_length_c [6.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(ZnCu3)2]
_chemical_formula_sum '[Li2 Zn4 Cu12]'
_cell_volume [232.1763]
_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  0.0000  1.0
  Zn  Zn1  4  0.1726  0.5000  0.0842  1.0
  Cu  Cu2  8  0.0532  0.2621  0.7016  1.0
  Cu  Cu3  4  0.2407  0.0000  0.4934  1.0
]