data_[La12Ni12P34]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [10.1722]
_cell_length_b [10.1722]
_cell_length_c [10.1722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [La6Ni6P17]
_chemical_formula_sum '[La12 Ni12 P34]'
_cell_volume [1052.5659]
_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  12  0.0000  0.0000  0.2898  1
  Ni  Ni1  12  0.0000  0.2500  0.5000  1
  P  P2  24  0.0668  0.7011  0.7011  1
  P  P3  8  0.2138  0.2138  0.7862  1
  P  P4  2  0.0000  0.0000  0.0000  1
]