data_[Mg10C8O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [10.0796]
_cell_length_b [9.1677]
_cell_length_c [8.4036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg5(C2O9)2]
_chemical_formula_sum '[Mg10 C8 O36]'
_cell_volume [708.5561]
_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
[
  Mg  Mg0  4  0.1505  0.5653  0.5085  1
  Mg  Mg1  4  0.1522  0.5676  0.1419  1
  Mg  Mg2  2  0.5000  0.0000  0.0000  1
  C  C3  4  0.0233  0.6683  0.7627  1
  C  C4  4  0.4165  0.7329  0.7302  1
  O  O5  4  0.0025  0.5999  0.8862  1
  O  O6  4  0.0031  0.5995  0.6188  1
  O  O7  4  0.0650  0.6983  0.2830  1
  O  O8  4  0.2520  0.1115  0.1883  1
  O  O9  4  0.2744  0.0793  0.5502  1
  O  O10  4  0.2762  0.7440  0.6381  1
  O  O11  4  0.2819  0.5021  0.3896  1
  O  O12  4  0.4847  0.6734  0.3453  1
  O  O13  4  0.4852  0.6238  0.7040  1
]