data_[Ba2Na2Cu2Cl8]
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 [P2_1/m]
_cell_length_a [6.6863]
_cell_length_b [6.9504]
_cell_length_c [8.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaCuCl4]
_chemical_formula_sum '[Ba2 Na2 Cu2 Cl8]'
_cell_volume [367.4249]
_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  2  0.2522  0.2500  0.0690  1.0
  Na  Na1  2  0.2222  0.2500  0.5577  1.0
  Cu  Cu2  2  0.2242  0.7500  0.3172  1.0
  Cl  Cl3  4  0.0142  0.5035  0.7496  1.0
  Cl  Cl4  2  0.4255  0.7500  0.1277  1.0
  Cl  Cl5  2  0.4520  0.7500  0.5809  1.0
]