data_[Na2Cu2C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [5.2837]
_cell_length_b [5.8271]
_cell_length_c [6.0352]
_cell_angle_alpha [95.1657]
_cell_angle_beta [109.0290]
_cell_angle_gamma [111.8765]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCuCO3]
_chemical_formula_sum '[Na2 Cu2 C2 O6]'
_cell_volume [158.2023]
_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
[
  Na  Na0  2  0.3555  0.1266  0.7378  1
  Cu  Cu1  2  0.0739  0.5726  0.7375  1
  C  C2  2  0.3195  0.2583  0.2510  1
  O  O3  2  0.1517  0.0758  0.3101  1
  O  O4  2  0.2902  0.4723  0.2424  1
  O  O5  2  0.4734  0.7668  0.8110  1
]