data_[Al2Ni16P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5771]
_cell_length_b [6.3321]
_cell_length_c [10.8834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al(Ni4P)2]
_chemical_formula_sum '[Al2 Ni16 P4]'
_cell_volume [246.5103]
_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
[
  Al  Al0  2  0.0000  0.5000  0.5000  1
  Ni  Ni1  8  0.0000  0.2186  0.3334  1
  Ni  Ni2  4  0.0000  0.0000  0.1473  1
  Ni  Ni3  4  0.0000  0.3026  0.0000  1
  P  P4  4  0.0000  0.5000  0.1805  1
]