data_[Na6Sr14]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [12.0692]
_cell_length_b [12.0692]
_cell_length_c [8.0238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Na3Sr7]
_chemical_formula_sum '[Na6 Sr14]'
_cell_volume [1012.2035]
_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  6  0.2068  0.4136  0.3608  1.0
  Sr  Sr1  6  0.0626  0.5313  0.6698  1.0
  Sr  Sr2  6  0.1231  0.8769  0.9256  1.0
  Sr  Sr3  2  0.3333  0.6667  0.0393  1.0
]