data_[La8Si8Ni4]
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/m]
_cell_length_a [11.1261]
_cell_length_b [4.2094]
_cell_length_c [10.8586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Si2Ni]
_chemical_formula_sum '[La8 Si8 Ni4]'
_cell_volume [449.3091]
_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  4  0.1128  0.0000  0.9047  1.0
  La  La1  4  0.2126  0.5000  0.6428  1.0
  Si  Si2  4  0.0355  0.0000  0.4098  1.0
  Si  Si3  4  0.0989  0.5000  0.1171  1.0
  Ni  Ni4  4  0.0448  0.5000  0.3076  1.0
]