data_[Zn2C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9032]
_cell_length_b [4.8444]
_cell_length_c [3.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnCO3]
_chemical_formula_sum '[Zn2 C2 O6]'
_cell_volume [106.9005]
_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
[
  Zn  Zn0  2  0.0618  0.5000  0.5273  1
  C  C1  2  0.4812  0.5000  0.8989  1
  O  O2  4  0.0594  0.2330  0.0267  1
  O  O3  2  0.3481  0.5000  0.6054  1
]