data_[Ba20Na4Sr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5701]
_cell_length_b [7.9377]
_cell_length_c [15.6456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba5NaSr]
_chemical_formula_sum '[Ba20 Na4 Sr4]'
_cell_volume [1712.9331]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  8  0.1635  0.4937  0.5319  1
  Ba  Ba1  8  0.2318  0.0087  0.1915  1
  Ba  Ba2  4  0.0000  0.2426  0.7500  1
  Na  Na3  4  0.0000  0.0000  0.0000  1
  Sr  Sr4  4  0.0000  0.2566  0.2500  1
]