data_[La6Zn3Ni48]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4231]
_cell_length_b [8.4231]
_cell_length_c [12.2457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2ZnNi16]
_chemical_formula_sum '[La6 Zn3 Ni48]'
_cell_volume [752.4184]
_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  3  0.0000  0.0000  0.3459  1
  La  La1  3  0.0000  0.0000  0.6592  1
  Zn  Zn2  3  0.0000  0.0000  0.0930  1
  Ni  Ni3  18  0.0001  0.2914  0.9999  1
  Ni  Ni4  9  0.0014  0.5007  0.5004  1
  Ni  Ni5  9  0.0042  0.5021  0.8447  1
  Ni  Ni6  9  0.1686  0.3372  0.4896  1
  Ni  Ni7  3  0.0000  0.0000  0.8986  1
]