data_[Ba1Na5Sr4]
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 [P4/mmm]
_cell_length_a [4.5580]
_cell_length_b [4.5580]
_cell_length_c [22.7583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BaNa5Sr4]
_chemical_formula_sum '[Ba1 Na5 Sr4]'
_cell_volume [472.8131]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Na  Na1  2  0.5000  0.5000  0.1076  1.0
  Na  Na2  2  0.5000  0.5000  0.3036  1.0
  Na  Na3  1  0.5000  0.5000  0.5000  1.0
  Sr  Sr4  2  0.0000  0.0000  0.2048  1.0
  Sr  Sr5  2  0.0000  0.0000  0.4020  1.0
]