# generated using pymatgen
data_TiFeH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82052000
_cell_length_b   4.57464000
_cell_length_c   4.75886600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeH2
_chemical_formula_sum   'Ti2 Fe2 H4'
_cell_volume   61.40299895
_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  0.28994400  0.70017700  1.0
  Ti  Ti1  1  0.50000000  0.78994400  0.29982300  1.0
  Fe  Fe2  1  0.00000000  0.78968300  0.81297200  1.0
  Fe  Fe3  1  0.00000000  0.28968300  0.18702800  1.0
  H  H4  1  0.50000000  0.44952100  0.06753600  1.0
  H  H5  1  0.50000000  0.94952100  0.93246400  1.0
  H  H6  1  0.00000000  0.55285200  0.52143700  1.0
  H  H7  1  0.00000000  0.05285200  0.47856300  1.0