data_[Ba10Li2Cu8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.9777]
_cell_length_b [4.4237]
_cell_length_c [8.3558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5LiCu4]
_chemical_formula_sum '[Ba10 Li2 Cu8]'
_cell_volume [723.5327]
_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  0.1342  0.0000  0.2464  1
  Ba  Ba1  4  0.1880  0.0000  0.7878  1
  Ba  Ba2  2  0.0000  0.5000  0.5000  1
  Li  Li3  2  0.0000  0.5000  0.0000  1
  Cu  Cu4  4  0.0405  0.0000  0.8525  1
  Cu  Cu5  4  0.1070  0.5000  0.9265  1
]