# generated using pymatgen
data_TiNiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03263099
_cell_length_b   5.03263099
_cell_length_c   3.84050000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   141.26163422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiH
_chemical_formula_sum   'Ti2 Ni2 H2'
_cell_volume   60.86803503
_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  0.85814300  0.14185700  0.75000000  1.0
  Ti  Ti1  1  0.14185700  0.85814300  0.25000000  1.0
  Ni  Ni2  1  0.58594500  0.41405500  0.75000000  1.0
  Ni  Ni3  1  0.41405500  0.58594500  0.25000000  1.0
  H  H4  1  0.08223400  0.91776600  0.75000000  1.0
  H  H5  1  0.91776600  0.08223400  0.25000000  1.0