data_[La16Zn6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4592]
_cell_length_b [16.0882]
_cell_length_c [5.4531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La8Zn3Cu2]
_chemical_formula_sum '[La16 Zn6 Cu4]'
_cell_volume [742.1396]
_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
[
  La  La0  8  0.2067  0.3823  0.5000  1
  La  La1  4  0.0000  0.1036  0.0000  1
  La  La2  4  0.0000  0.3048  0.0000  1
  Zn  Zn3  4  0.1541  0.5000  0.0000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Cu  Cu5  4  0.0000  0.2181  0.5000  1
]