data_[Na4Sr12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2456]
_cell_length_b [4.2590]
_cell_length_c [9.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSr3Ni]
_chemical_formula_sum '[Na4 Sr12 Ni4]'
_cell_volume [789.0661]
_cell_formula_units_Z [4]
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  4  0.2243  0.5000  0.8471  1.0
  Sr  Sr1  4  0.0362  0.0000  0.7144  1.0
  Sr  Sr2  4  0.1033  0.5000  0.1378  1.0
  Sr  Sr3  4  0.1647  0.0000  0.5032  1.0
  Ni  Ni4  4  0.0519  0.5000  0.4632  1.0
]