data_[Cu2C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.2148]
_cell_length_b [4.8294]
_cell_length_c [6.6630]
_cell_angle_alpha [74.0622]
_cell_angle_beta [75.5844]
_cell_angle_gamma [68.1261]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuCO3]
_chemical_formula_sum '[Cu2 C2 O6]'
_cell_volume [119.3782]
_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
[
  Cu  Cu0  2  0.4462  0.2346  0.7639  1.0
  C  C1  2  0.0373  0.8663  0.7544  1.0
  O  O2  2  0.0277  0.1470  0.7387  1.0
  O  O3  2  0.2584  0.1796  0.1713  1.0
  O  O4  2  0.3109  0.6635  0.6911  1.0
]