data_[La12Zn8Ni12]
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 [Pnma]
_cell_length_a [7.6895]
_cell_length_b [14.3049]
_cell_length_c [6.2982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La3Zn2Ni3]
_chemical_formula_sum '[La12 Zn8 Ni12]'
_cell_volume [692.7823]
_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  8  0.0588  0.1070  0.3463  1
  La  La1  4  0.0880  0.7500  0.1278  1
  Zn  Zn2  8  0.2007  0.0893  0.8671  1
  Ni  Ni3  8  0.1116  0.5508  0.0739  1
  Ni  Ni4  4  0.2384  0.7500  0.5794  1
]