data_[La16Si2Ni4]
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 [Cm]
_cell_length_a [8.2087]
_cell_length_b [13.6033]
_cell_length_c [6.5117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La8SiNi2]
_chemical_formula_sum '[La16 Si2 Ni4]'
_cell_volume [668.5867]
_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  0.0064  0.1986  0.0276  1
  La  La1  4  0.2323  0.1347  0.6433  1
  La  La2  4  0.2600  0.3654  0.4007  1
  La  La3  2  0.1367  0.5000  0.8268  1
  La  La4  2  0.3492  0.0000  0.2059  1
  Si  Si5  2  0.4918  0.5000  0.7921  1
  Ni  Ni6  4  0.4955  0.1964  0.5162  1
]