data_[La8Si4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3633]
_cell_length_b [5.5208]
_cell_length_c [7.8285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2SiNi2]
_chemical_formula_sum '[La8 Si4 Ni8]'
_cell_volume [391.4417]
_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  0.1478  0.1387  0.1505  1.0
  Si  Si1  4  0.0000  0.3614  0.7500  1.0
  Ni  Ni2  8  0.1266  0.3764  0.4998  1.0
]