# generated using pymatgen
data_Mg6TiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12512425
_cell_length_b   7.12512425
_cell_length_c   3.21452300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.38015528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6TiC
_chemical_formula_sum   'Mg6 Ti1 C1'
_cell_volume   162.71631725
_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  0.77478800  0.53896500  0.00000000  1.0
  Mg  Mg1  1  0.46103500  0.22521200  0.00000000  1.0
  Mg  Mg2  1  0.34446500  0.65553500  0.00000000  1.0
  Mg  Mg3  1  0.62663200  0.88337700  0.50000000  1.0
  Mg  Mg4  1  0.11662300  0.37336800  0.50000000  1.0
  Mg  Mg5  1  0.09766000  0.90234000  0.50000000  1.0
  Ti  Ti6  1  0.84807000  0.15193000  0.00000000  1.0
  C  C7  1  0.73072800  0.26927200  0.50000000  1.0