data_[La12Zn2Ni6]
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 [P2_1/m]
_cell_length_a [11.0567]
_cell_length_b [3.9394]
_cell_length_c [13.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6ZnNi3]
_chemical_formula_sum '[La12 Zn2 Ni6]'
_cell_volume [561.2127]
_cell_formula_units_Z [2]
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  2  0.1404  0.2500  0.4363  1
  La  La1  2  0.1625  0.7500  0.9086  1
  La  La2  2  0.1649  0.7500  0.1823  1
  La  La3  2  0.2730  0.7500  0.6980  1
  La  La4  2  0.4338  0.2500  0.0930  1
  La  La5  2  0.4848  0.7500  0.3792  1
  Zn  Zn6  2  0.0611  0.2500  0.7120  1
  Ni  Ni7  2  0.0740  0.2500  0.0246  1
  Ni  Ni8  2  0.3316  0.7500  0.5036  1
  Ni  Ni9  2  0.3552  0.2500  0.8607  1
]