data_[Li4Zn4Cu6]
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 [8.4940]
_cell_length_b [3.9222]
_cell_length_c [5.4750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zn2Cu3]
_chemical_formula_sum '[Li4 Zn4 Cu6]'
_cell_volume [181.7786]
_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  0.0677  0.5000  0.7282  1.0
  Zn  Zn1  4  0.1465  0.0000  0.4180  1.0
  Cu  Cu2  4  0.2203  0.5000  0.1410  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
]