data_[La16Ni8P24]
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 [Fmmm]
_cell_length_a [8.0171]
_cell_length_b [8.8363]
_cell_length_c [14.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2NiP3]
_chemical_formula_sum '[La16 Ni8 P24]'
_cell_volume [997.8609]
_cell_formula_units_Z [8]
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  8  0.2263  0.0000  0.0000  1
  La  La1  8  0.2500  0.2500  0.2500  1
  Ni  Ni2  8  0.0000  0.0000  0.3397  1
  P  P3  16  0.0000  0.2100  0.4208  1
  P  P4  8  0.0000  0.0000  0.1856  1
]