# generated using pymatgen
data_TiFeH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90532500
_cell_length_b   4.27846300
_cell_length_c   4.55815400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeH
_chemical_formula_sum   'Ti2 Fe2 H2'
_cell_volume   56.65933797
_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
  Ti  Ti0  1  0.50000000  0.75000000  0.74884500  1.0
  Ti  Ti1  1  0.50000000  0.25000000  0.25115500  1.0
  Fe  Fe2  1  0.00000000  0.75000000  0.30284700  1.0
  Fe  Fe3  1  0.00000000  0.25000000  0.69715300  1.0
  H  H4  1  0.00000000  0.50000000  0.00000000  1.0
  H  H5  1  0.00000000  0.00000000  0.00000000  1.0