data_[Ba2Na1Cu1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2124]
_cell_length_b [7.7531]
_cell_length_c [8.0010]
_cell_angle_alpha [112.3252]
_cell_angle_beta [97.8973]
_cell_angle_gamma [112.5477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2NaCuCl6]
_chemical_formula_sum '[Ba2 Na1 Cu1 Cl6]'
_cell_volume [310.6385]
_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  0.2549  0.4120  0.6952  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.1812  0.4587  0.3195  1.0
  Cl  Cl4  2  0.1931  0.9960  0.3424  1.0
  Cl  Cl5  2  0.4191  0.2035  0.9203  1.0
]