data_[La6Zn9In3Cu36]
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
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3313]
_cell_length_b [8.3313]
_cell_length_c [17.5522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Zn3InCu12]
_chemical_formula_sum '[La6 Zn9 In3 Cu36]'
_cell_volume [1055.0819]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4015  1
  Zn  Zn1  9  0.0000  0.5000  0.5000  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Cu  Cu3  18  0.0047  0.5023  0.3573  1
  Cu  Cu4  18  0.1103  0.2206  0.2432  1
]