data_[Ba4Na16Sr2]
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 [Cmmm]
_cell_length_a [7.3092]
_cell_length_b [20.0011]
_cell_length_c [6.7561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2Na8Sr]
_chemical_formula_sum '[Ba4 Na16 Sr2]'
_cell_volume [987.6849]
_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
[
  Ba  Ba0  4  0.0000  0.3061  0.5000  1
  Na  Na1  8  0.2348  0.1664  0.0000  1
  Na  Na2  4  0.0000  0.0989  0.5000  1
  Na  Na3  4  0.0000  0.5000  0.2501  1
  Sr  Sr4  2  0.0000  0.0000  0.0000  1
]