data_[Ba8Li2Cu2]
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 [P2_1/c]
_cell_length_a [8.4834]
_cell_length_b [8.1235]
_cell_length_c [8.7197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba4LiCu]
_chemical_formula_sum '[Ba8 Li2 Cu2]'
_cell_volume [592.6902]
_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  0.1648  0.6470  0.8749  1.0
  Ba  Ba1  4  0.3635  0.1696  0.7994  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.5000  0.0000  0.5000  1.0
]