data_[Cs3Na51Sr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [12.2413]
_cell_length_b [12.2413]
_cell_length_c [18.3116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsNa17Sr]
_chemical_formula_sum '[Cs3 Na51 Sr3]'
_cell_volume [2376.3731]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.6584  1
  Na  Na1  18  0.0057  0.2993  0.0009  1
  Na  Na2  9  0.0122  0.5061  0.8502  1
  Na  Na3  9  0.0171  0.5086  0.1482  1
  Na  Na4  9  0.1669  0.3338  0.8351  1
  Na  Na5  3  0.0000  0.0000  0.1001  1
  Na  Na6  3  0.0000  0.0000  0.9060  1
  Sr  Sr7  3  0.0000  0.0000  0.3292  1
]