data_[Ba4Na2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6339]
_cell_length_b [8.6339]
_cell_length_c [4.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba2NaCu2]
_chemical_formula_sum '[Ba4 Na2 Cu4]'
_cell_volume [334.3979]
_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  0.1765  0.3235  0.5000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1029  0.6029  0.0000  1.0
]