data_[Li4Zn12Cu8]
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 [5.4132]
_cell_length_b [12.8988]
_cell_length_c [4.8125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiZn3Cu2]
_chemical_formula_sum '[Li4 Zn12 Cu8]'
_cell_volume [336.0284]
_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  0.3520  0.7500  1
  Zn  Zn1  8  0.2455  0.3251  0.2500  1
  Zn  Zn2  4  0.0000  0.1458  0.2500  1
  Cu  Cu3  8  0.2482  0.5000  0.0000  1
]