data_[Li2Cu2C2O6]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0256]
_cell_length_b [5.1305]
_cell_length_c [6.1953]
_cell_angle_alpha [110.2122]
_cell_angle_beta [90.3636]
_cell_angle_gamma [118.6776]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCuCO3]
_chemical_formula_sum '[Li2 Cu2 C2 O6]'
_cell_volume [128.6077]
_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
[
  Li  Li0  2  0.2218  0.3116  0.6923  1.0
  Cu  Cu1  2  0.4385  0.9740  0.2585  1.0
  C  C2  2  0.0943  0.3236  0.2567  1.0
  O  O3  2  0.1023  0.1005  0.3079  1.0
  O  O4  2  0.1620  0.6751  0.7619  1.0
  O  O5  2  0.3447  0.5437  0.2270  1.0
]