data_[Li8Zn8Cu4]
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 [Ibam]
_cell_length_a [5.0295]
_cell_length_b [12.4671]
_cell_length_c [4.8120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li2Zn2Cu]
_chemical_formula_sum '[Li8 Zn8 Cu4]'
_cell_volume [301.7263]
_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  8  0.1541  0.3154  0.5000  1.0
  Zn  Zn1  8  0.1280  0.0956  0.5000  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2500  1.0
]