data_[Cu4C4O12]
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 [C2/c]
_cell_length_a [7.8101]
_cell_length_b [4.9218]
_cell_length_c [5.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuCO3]
_chemical_formula_sum '[Cu4 C4 O12]'
_cell_volume [195.6736]
_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
[
  Cu  Cu0  4  0.2500  0.2500  0.0000  1.0
  C  C1  4  0.0000  0.2803  0.2500  1.0
  O  O2  8  0.1345  0.1446  0.2297  1.0
  O  O3  4  0.0000  0.4548  0.7500  1.0
]