data_[Cu4C8O24]
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 [P2_1/c]
_cell_length_a [7.8769]
_cell_length_b [8.3531]
_cell_length_c [10.7535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(CO3)2]
_chemical_formula_sum '[Cu4 C8 O24]'
_cell_volume [688.7747]
_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  2  0.0000  0.0000  0.0000  1
  Cu  Cu1  2  0.5000  0.0000  0.5000  1
  C  C2  4  0.0909  0.1750  0.3208  1
  C  C3  4  0.3293  0.6405  0.4488  1
  O  O4  4  0.0817  0.0957  0.2291  1
  O  O5  4  0.0970  0.2454  0.9117  1
  O  O6  4  0.2106  0.6198  0.4972  1
  O  O7  4  0.3463  0.5446  0.1003  1
  O  O8  4  0.4458  0.6590  0.4000  1
  O  O9  4  0.4775  0.0981  0.3448  1
]