data_[Ba6Na4Cu4]
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 [C2/m]
_cell_length_a [11.9566]
_cell_length_b [4.4566]
_cell_length_c [11.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(NaCu)2]
_chemical_formula_sum '[Ba6 Na4 Cu4]'
_cell_volume [590.0228]
_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  0.1501  0.5000  0.7453  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Na  Na2  4  0.1241  0.0000  0.4378  1
  Cu  Cu3  4  0.2310  0.5000  0.0362  1
]