data_[La8Zn2Ni2]
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 [6.3733]
_cell_length_b [7.1799]
_cell_length_c [8.3281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4ZnNi]
_chemical_formula_sum '[La8 Zn2 Ni2]'
_cell_volume [358.3705]
_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  4  0.0187  0.5036  0.7286  1
  La  La1  2  0.4208  0.7500  0.1272  1
  La  La2  2  0.4350  0.7500  0.5827  1
  Zn  Zn3  2  0.2139  0.2500  0.0561  1
  Ni  Ni4  2  0.2116  0.2500  0.5523  1
]