data_[Li4Zn8Cu12]
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 [Cmcm]
_cell_length_a [8.7243]
_cell_length_b [8.0254]
_cell_length_c [4.9812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiZn2Cu3]
_chemical_formula_sum '[Li4 Zn8 Cu12]'
_cell_volume [348.7690]
_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  4  0.0000  0.1232  0.2500  1
  Zn  Zn1  8  0.1526  0.2455  0.7500  1
  Cu  Cu2  8  0.2484  0.5000  0.0000  1
  Cu  Cu3  4  0.0000  0.4776  0.2500  1
]