[CIF]
data_Mg30AlCO32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46177900
_cell_length_b   8.46177900
_cell_length_c   8.60049300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg30AlCO32
_chemical_formula_sum   'Mg30 Al1 C1 O32'
_cell_volume   615.80995271
_cell_formula_units_Z   1
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  1  0.00000000  4.23088950  4.30024650  1
  Mg  Mg1  1  0.00000000  4.23088950  0.00000000  1
  Mg  Mg2  1  4.23088950  0.00000000  4.30024650  1
  Mg  Mg3  1  4.23088950  0.00000000  0.00000000  1
  Mg  Mg4  1  4.23088950  4.23088950  4.30024650  1
  Mg  Mg5  1  4.23088950  4.23088950  0.00000000  1
  Mg  Mg6  1  0.00000000  2.07949911  6.47526818  1
  Mg  Mg7  1  0.00000000  2.07949911  2.12522482  1
  Mg  Mg8  1  0.00000000  6.38227989  6.47526818  1
  Mg  Mg9  1  0.00000000  6.38227989  2.12522482  1
  Mg  Mg10  1  4.23088950  2.10934381  6.45798119  1
  Mg  Mg11  1  4.23088950  2.10934381  2.14251181  1
  Mg  Mg12  1  4.23088950  6.35243519  6.45798119  1
  Mg  Mg13  1  4.23088950  6.35243519  2.14251181  1
  Mg  Mg14  1  2.07949911  0.00000000  6.47526818  1
  Mg  Mg15  1  2.07949911  0.00000000  2.12522482  1
  Mg  Mg16  1  2.10934381  4.23088950  6.45798119  1
  Mg  Mg17  1  2.10934381  4.23088950  2.14251181  1
  Mg  Mg18  1  6.38227989  0.00000000  6.47526818  1
  Mg  Mg19  1  6.38227989  0.00000000  2.12522482  1
  Mg  Mg20  1  6.35243519  4.23088950  6.45798119  1
  Mg  Mg21  1  6.35243519  4.23088950  2.14251181  1
  Mg  Mg22  1  2.11475088  2.11475088  4.30024650  1
  Mg  Mg23  1  2.09693038  2.09693038  0.00000000  1
  Mg  Mg24  1  2.11475088  6.34702812  4.30024650  1
  Mg  Mg25  1  2.09693038  6.36484862  0.00000000  1
  Mg  Mg26  1  6.34702812  2.11475088  4.30024650  1
  Mg  Mg27  1  6.36484862  2.09693038  0.00000000  1
  Mg  Mg28  1  6.34702812  6.34702812  4.30024650  1
  Mg  Mg29  1  6.36484862  6.36484862  0.00000000  1
  Al  Al30  1  0.00000000  0.00000000  4.30024650  1
  C  C31  1  0.00000000  0.00000000  0.00000000  1
  O  O32  1  2.05150755  0.00000000  4.30024650  1
  O  O33  1  2.15570589  0.00000000  0.00000000  1
  O  O34  1  2.10490984  4.23088950  4.30024650  1
  O  O35  1  2.11691710  4.23088950  0.00000000  1
  O  O36  1  6.41027145  0.00000000  4.30024650  1
  O  O37  1  6.30607311  0.00000000  0.00000000  1
  O  O38  1  6.35686916  4.23088950  4.30024650  1
  O  O39  1  6.34486190  4.23088950  0.00000000  1
  O  O40  1  2.10841301  2.10841301  6.45314771  1
  O  O41  1  2.10841301  2.10841301  2.14734529  1
  O  O42  1  2.10841301  6.35336599  6.45314771  1
  O  O43  1  2.10841301  6.35336599  2.14734529  1
  O  O44  1  6.35336599  2.10841301  6.45314771  1
  O  O45  1  6.35336599  2.10841301  2.14734529  1
  O  O46  1  6.35336599  6.35336599  6.45314771  1
  O  O47  1  6.35336599  6.35336599  2.14734529  1
  O  O48  1  0.00000000  0.00000000  6.10638443  1
  O  O49  1  0.00000000  0.00000000  2.49410857  1
  O  O50  1  0.00000000  4.23088950  6.43165508  1
  O  O51  1  0.00000000  4.23088950  2.16883792  1
  O  O52  1  4.23088950  0.00000000  6.43165508  1
  O  O53  1  4.23088950  0.00000000  2.16883792  1
  O  O54  1  4.23088950  4.23088950  6.44319694  1
  O  O55  1  4.23088950  4.23088950  2.15729606  1
  O  O56  1  0.00000000  2.05150755  4.30024650  1
  O  O57  1  0.00000000  2.15570589  0.00000000  1
  O  O58  1  0.00000000  6.41027145  4.30024650  1
  O  O59  1  0.00000000  6.30607311  0.00000000  1
  O  O60  1  4.23088950  2.10490984  4.30024650  1
  O  O61  1  4.23088950  2.11691710  0.00000000  1
  O  O62  1  4.23088950  6.35686916  4.30024650  1
  O  O63  1  4.23088950  6.34486190  0.00000000  1
[/CIF]
