data_[Na6Sr18P36]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [12.0520]
_cell_length_b [12.0520]
_cell_length_c [11.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Na(SrP2)3]
_chemical_formula_sum '[Na6 Sr18 P36]'
_cell_volume [1413.2751]
_cell_formula_units_Z [6]
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  0.0000  0.0000  0.0000  1
  Sr  Sr1  18  0.0000  0.4389  0.2500  1
  P  P2  36  0.0793  0.2356  0.3285  1
]