data_[Na4Sr2Ni2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7027]
_cell_length_b [6.0156]
_cell_length_c [10.0261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2SrNiF6]
_chemical_formula_sum '[Na4 Sr2 Ni2 F12]'
_cell_volume [284.5631]
_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  4  0.2717  0.5459  0.7687  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1021  0.5866  0.2258  1.0
  F  F4  4  0.2436  0.2127  0.0869  1.0
  F  F5  4  0.3463  0.6582  0.0444  1.0
]