data_[La9Zn21Cu6]
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 [R-3m]
_cell_length_a [5.5188]
_cell_length_b [5.5188]
_cell_length_c [26.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La3Zn7Cu2]
_chemical_formula_sum '[La9 Zn21 Cu6]'
_cell_volume [697.6703]
_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  0.1465  1
  La  La1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  18  0.0002  0.5001  0.9221  1
  Zn  Zn3  3  -0.0000  -0.0000  0.5000  1
  Cu  Cu4  6  0.0000  0.0000  0.3341  1
]