data_[La4Al2Si2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  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 [11.2113]
_cell_length_b [5.0224]
_cell_length_c [7.8583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.3753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2AlSiNi6]
_chemical_formula_sum '[La4 Al2 Si2 Ni12]'
_cell_volume [332.0372]
_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  0.2454  0.5000  0.7940  1.0
  Al  Al1  2  0.0000  0.5000  0.0000  1.0
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  8  0.0229  0.2492  0.2790  1.0
  Ni  Ni4  4  0.2499  0.0000  0.5970  1.0
]