# generated using pymatgen
data_TiVH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26746333
_cell_length_b   5.26746333
_cell_length_c   5.26746334
_cell_angle_alpha   33.57830728
_cell_angle_beta   33.57830728
_cell_angle_gamma   33.57832143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVH4
_chemical_formula_sum   'Ti1 V1 H4'
_cell_volume   39.82286305
_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
  Ti  Ti0  1  0.00000000  -0.00000000  -0.00000000  1.0
  V  V1  1  0.50000000  0.50000000  0.50000000  1.0
  H  H2  1  0.62140846  0.62140846  0.62140846  1.0
  H  H3  1  0.12833098  0.12833098  0.12833098  1.0
  H  H4  1  0.87166902  0.87166902  0.87166902  1.0
  H  H5  1  0.37859154  0.37859154  0.37859154  1.0