data_[La4Nd6Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2345]
_cell_length_b [3.7905]
_cell_length_c [9.2462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Nd3Ni2]
_chemical_formula_sum '[La4 Nd6 Ni4]'
_cell_volume [397.4456]
_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  0.1695  0.0000  0.8029  1.0
  Nd  Nd1  4  0.1169  0.5000  0.4220  1.0
  Nd  Nd2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  4  0.1622  0.0000  0.2199  1.0
]