# generated using pymatgen
data_Mg3TiH8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62414900
_cell_length_b   4.62414900
_cell_length_c   4.62414900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3TiH8
_chemical_formula_sum   'Mg3 Ti1 H8'
_cell_volume   98.87704041
_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  0.50000000  0.00000000  1.0
  Mg  Mg1  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg2  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1.0
  H  H4  1  0.24317500  0.24317500  0.75682500  1.0
  H  H5  1  0.24317500  0.75682500  0.24317500  1.0
  H  H6  1  0.75682500  0.24317500  0.24317500  1.0
  H  H7  1  0.75682500  0.75682500  0.75682500  1.0
  H  H8  1  0.75682500  0.75682500  0.24317500  1.0
  H  H9  1  0.75682500  0.24317500  0.75682500  1.0
  H  H10  1  0.24317500  0.75682500  0.75682500  1.0
  H  H11  1  0.24317500  0.24317500  0.24317500  1.0