data_[Ba2Li1Cu1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [6.4672]
_cell_length_b [7.3004]
_cell_length_c [7.5313]
_cell_angle_alpha [61.9470]
_cell_angle_beta [84.6743]
_cell_angle_gamma [64.7479]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2LiCuCl6]
_chemical_formula_sum '[Ba2 Li1 Cu1 Cl6]'
_cell_volume [281.2079]
_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  0.1802  0.5700  0.7034  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.2001  0.1626  0.1003  1.0
  Cl  Cl4  2  0.2127  0.0088  0.6680  1.0
  Cl  Cl5  2  0.2828  0.5486  0.2951  1.0
]