data_[Ba4Na2Sr5]
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 [P2/m]
_cell_length_a [10.5694]
_cell_length_b [4.3391]
_cell_length_c [13.5938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Na2Sr5]
_chemical_formula_sum '[Ba4 Na2 Sr5]'
_cell_volume [622.3032]
_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  2  0.1574  0.5000  0.8891  1.0
  Ba  Ba1  2  0.2835  0.5000  0.4466  1.0
  Na  Na2  2  0.0546  0.0000  0.6318  1.0
  Sr  Sr3  2  0.2000  0.0000  0.1702  1.0
  Sr  Sr4  2  0.4257  0.0000  0.7055  1.0
  Sr  Sr5  1  0.5000  0.0000  0.0000  1.0
]