# generated using pymatgen
data_Mg6TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01673900
_cell_length_b   6.09040500
_cell_length_c   10.87131900
_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   332.16197947
_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  0.25158400  0.41865700  1.0
  Mg  Mg1  1  0.00000000  0.74841600  0.41865700  1.0
  Mg  Mg2  1  0.50000000  0.75155600  0.08786600  1.0
  Mg  Mg3  1  0.50000000  0.24844400  0.08786600  1.0
  Mg  Mg4  1  0.50000000  0.00000000  0.32501700  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.32660000  1.0
  Mg  Mg6  1  0.00000000  0.75158400  0.91865700  1.0
  Mg  Mg7  1  0.00000000  0.24841600  0.91865700  1.0
  Mg  Mg8  1  0.50000000  0.25155600  0.58786600  1.0
  Mg  Mg9  1  0.50000000  0.74844400  0.58786600  1.0
  Mg  Mg10  1  0.50000000  0.50000000  0.82501700  1.0
  Mg  Mg11  1  0.50000000  0.00000000  0.82660000  1.0
  Ti  Ti12  1  0.00000000  0.50000000  0.16843600  1.0
  Ti  Ti13  1  0.00000000  0.00000000  0.66843600  1.0
  V  V14  1  0.00000000  0.00000000  0.16689700  1.0
  V  V15  1  0.00000000  0.50000000  0.66689700  1.0