data_[La6Si14Ni6]
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 [Amm2]
_cell_length_a [4.2218]
_cell_length_b [4.1428]
_cell_length_c [26.0750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Si7Ni3]
_chemical_formula_sum '[La6 Si14 Ni6]'
_cell_volume [456.0560]
_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  2  0.0000  0.0000  0.9991  1.0
  La  La1  2  0.5000  0.0000  0.3141  1.0
  La  La2  2  0.5000  0.0000  0.6821  1.0
  Si  Si3  2  0.0000  0.0000  0.2235  1.0
  Si  Si4  2  0.0000  0.0000  0.4060  1.0
  Si  Si5  2  0.0000  0.0000  0.5914  1.0
  Si  Si6  2  0.0000  0.0000  0.7757  1.0
  Si  Si7  2  0.5000  0.0000  0.0914  1.0
  Si  Si8  2  0.5000  0.0000  0.4615  1.0
  Si  Si9  2  0.5000  0.0000  0.9053  1.0
  Ni  Ni10  2  0.0000  0.0000  0.1336  1.0
  Ni  Ni11  2  0.0000  0.0000  0.8674  1.0
  Ni  Ni12  2  0.5000  0.0000  0.5489  1.0
]