data_[Na2Ni6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.8845]
_cell_length_b [5.6467]
_cell_length_c [19.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na(NiP)3]
_chemical_formula_sum '[Na2 Ni6 P6]'
_cell_volume [642.8135]
_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
[
  Na  Na0  2  0.4783  0.5000  0.6292  1
  Ni  Ni1  4  0.2298  0.2402  0.5155  1
  Ni  Ni2  2  0.2841  0.5000  0.4046  1
  P  P3  4  0.4754  0.1960  0.4284  1
  P  P4  2  0.4857  0.0000  0.5783  1
]