# generated using pymatgen
data_Mg6AlCO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15221793
_cell_length_b   4.10597592
_cell_length_c   4.10597592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6AlCO8
_chemical_formula_sum   'Mg6 Al1 C1 O8'
_cell_volume   154.29759221
_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  0.50000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg2  1  0.24285437  -0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.75714563  0.00000000  0.50000000  1.0
  Mg  Mg4  1  0.24285437  0.50000000  -0.00000000  1.0
  Mg  Mg5  1  0.75714563  0.50000000  0.00000000  1.0
  Al  Al6  1  0.00000000  0.00000000  0.00000000  1.0
  C  C7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.20948296  0.00000000  0.00000000  1.0
  O  O9  1  0.79051704  -0.00000000  -0.00000000  1.0
  O  O10  1  0.27858722  0.50000000  0.50000000  1.0
  O  O11  1  0.72141278  0.50000000  0.50000000  1.0
  O  O12  1  0.00000000  0.00000000  0.50000000  1.0
  O  O13  1  0.50000000  0.00000000  0.50000000  1.0
  O  O14  1  0.00000000  0.50000000  0.00000000  1.0
  O  O15  1  0.50000000  0.50000000  0.00000000  1.0