data_[Mg9Sn3C12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.6856]
_cell_length_b [9.6856]
_cell_length_c [8.0264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Mg3Sn(CO3)4]
_chemical_formula_sum '[Mg9 Sn3 C12 O36]'
_cell_volume [652.0906]
_cell_formula_units_Z [3]
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  9  0.0000  0.5452  0.0000  1.0
  Sn  Sn1  3  0.0000  0.0000  0.0000  1.0
  C  C2  9  0.0000  0.4549  0.5000  1.0
  C  C3  3  0.0000  0.0000  0.5000  1.0
  O  O4  18  0.0100  0.2109  0.1901  1.0
  O  O5  9  0.0000  0.5896  0.5000  1.0
  O  O6  9  0.0000  0.8656  0.5000  1.0
]