# generated using pymatgen
data_Mg6AlC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63698937
_cell_length_b   6.63698937
_cell_length_c   3.51201700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.39862241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6AlC
_chemical_formula_sum   'Mg6 Al1 C1'
_cell_volume   153.04398250
_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  0.38118500  0.10487700  0.50000000  1.0
  Mg  Mg1  1  0.89512300  0.61881500  0.50000000  1.0
  Mg  Mg2  1  0.21191700  0.45296000  0.00000000  1.0
  Mg  Mg3  1  0.54704000  0.78808300  0.00000000  1.0
  Mg  Mg4  1  0.67422200  0.32577800  0.00000000  1.0
  Mg  Mg5  1  0.12698300  0.87301700  0.00000000  1.0
  Al  Al6  1  0.89478000  0.10522000  0.50000000  1.0
  C  C7  1  0.26875800  0.73124200  0.50000000  1.0