data_[Li4Cu4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3636]
_cell_length_b [5.4497]
_cell_length_c [6.7964]
_cell_angle_alpha [99.0087]
_cell_angle_beta [101.0728]
_cell_angle_gamma [105.5130]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCuO2]
_chemical_formula_sum '[Li4 Cu4 O8]'
_cell_volume [183.2596]
_cell_formula_units_Z [4]
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
[
  Li  Li0  1  0.4180  0.3848  0.1295  1.0
  Li  Li1  1  0.4213  0.8960  0.1485  1.0
  Li  Li2  1  0.4740  0.2126  0.5568  1.0
  Li  Li3  1  0.5738  0.6522  0.8514  1.0
  Cu  Cu4  1  0.0356  0.4419  0.7441  1.0
  Cu  Cu5  1  0.0390  0.9428  0.7405  1.0
  Cu  Cu6  1  0.9441  0.0523  0.2589  1.0
  Cu  Cu7  1  0.9507  0.5547  0.2619  1.0
  O  O8  1  0.1945  0.8876  0.3331  1.0
  O  O9  1  0.1952  0.3772  0.3297  1.0
  O  O10  1  0.2660  0.7745  0.8586  1.0
  O  O11  1  0.2909  0.2768  0.8164  1.0
  O  O12  1  0.7009  0.2283  0.1928  1.0
  O  O13  1  0.7034  0.7167  0.1565  1.0
  O  O14  1  0.7902  0.6110  0.6652  1.0
  O  O15  1  0.8086  0.1110  0.6322  1.0
]