data_[Li4Zn24Cu2]
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 [P4/nbm]
_cell_length_a [5.2149]
_cell_length_b [5.2149]
_cell_length_c [18.2815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Li2Zn12Cu]
_chemical_formula_sum '[Li4 Zn24 Cu2]'
_cell_volume [497.1704]
_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  0.5000  0.2626  1
  Zn  Zn1  8  0.1748  0.3252  0.4340  1
  Zn  Zn2  8  0.2499  0.2501  0.0964  1
  Zn  Zn3  4  0.0000  0.0000  0.2003  1
  Zn  Zn4  4  0.0000  0.0000  0.3338  1
  Cu  Cu5  2  0.0000  0.5000  0.0000  1
]