data_[La16Si4Ni2]
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 [8.9384]
_cell_length_b [16.7828]
_cell_length_c [5.1705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La8Si2Ni]
_chemical_formula_sum '[La16 Si4 Ni2]'
_cell_volume [635.3446]
_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  0.0112  0.2025  0.0510  1
  La  La1  4  0.2727  0.6375  0.3133  1
  La  La2  4  0.3069  0.1258  0.8547  1
  La  La3  2  0.1221  0.0000  0.1997  1
  La  La4  2  0.1321  0.5000  0.6655  1
  Si  Si5  4  0.0396  0.6916  0.5811  1
  Ni  Ni6  2  0.0190  0.0000  0.6028  1
]