data_[Na1Sr2Ni1F8]
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 [P-1]
_cell_length_a [4.1905]
_cell_length_b [5.6755]
_cell_length_c [7.1440]
_cell_angle_alpha [86.6229]
_cell_angle_beta [89.6920]
_cell_angle_gamma [88.3380]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaSr2NiF8]
_chemical_formula_sum '[Na1 Sr2 Ni1 F8]'
_cell_volume [169.5378]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sr  Sr1  2  0.2979  0.4928  0.2496  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2082  0.2211  0.8246  1.0
  F  F4  2  0.2353  0.6523  0.5552  1.0
  F  F5  2  0.2402  0.7097  0.9437  1.0
  F  F6  2  0.2457  0.0597  0.2133  1.0
]