data_[La4Zn4Cu20]
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 [Pnma]
_cell_length_a [8.2369]
_cell_length_b [5.1558]
_cell_length_c [10.3208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaZnCu5]
_chemical_formula_sum '[La4 Zn4 Cu20]'
_cell_volume [438.3056]
_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
[
  La  La0  4  0.2394  0.2500  0.0617  1
  Zn  Zn1  4  0.1455  0.7500  0.8608  1
  Cu  Cu2  8  0.0654  0.0035  0.3097  1
  Cu  Cu3  4  0.0645  0.7500  0.1017  1
  Cu  Cu4  4  0.0934  0.2500  0.5153  1
  Cu  Cu5  4  0.1807  0.2500  0.7529  1
]