# generated using pymatgen
data_Mg6TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86526600
_cell_length_b   6.13557700
_cell_length_c   10.98076600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6TiV
_chemical_formula_sum   'Mg12 Ti2 V2'
_cell_volume   327.78919760
_cell_formula_units_Z   2
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  0.74215600  0.08077100  1.0
  Mg  Mg1  1  0.00000000  0.25784400  0.08077100  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.33035100  1.0
  Mg  Mg3  1  0.50000000  0.25858900  0.42027400  1.0
  Mg  Mg4  1  0.50000000  0.74141100  0.42027400  1.0
  Mg  Mg5  1  0.50000000  0.00000000  0.16757300  1.0
  Mg  Mg6  1  0.00000000  0.24215600  0.58077100  1.0
  Mg  Mg7  1  0.00000000  0.75784400  0.58077100  1.0
  Mg  Mg8  1  0.00000000  0.50000000  0.83035100  1.0
  Mg  Mg9  1  0.50000000  0.75858900  0.92027400  1.0
  Mg  Mg10  1  0.50000000  0.24141100  0.92027400  1.0
  Mg  Mg11  1  0.50000000  0.50000000  0.66757300  1.0
  Ti  Ti12  1  0.50000000  0.50000000  0.18536700  1.0
  Ti  Ti13  1  0.50000000  0.00000000  0.68536700  1.0
  V  V14  1  0.00000000  0.50000000  0.31461900  1.0
  V  V15  1  0.00000000  0.00000000  0.81461900  1.0