# generated using pymatgen
data_Ti2NiH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08614222
_cell_length_b   8.08614222
_cell_length_c   8.08614222
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NiH
_chemical_formula_sum   'Ti16 Ni8 H8'
_cell_volume   373.86010983
_cell_formula_units_Z   8
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  0.80988500  0.80988500  0.19011500  1.0
  Ti  Ti1  1  0.19011500  0.19011500  0.80988500  1.0
  Ti  Ti2  1  0.80988500  0.19011500  0.80988500  1.0
  Ti  Ti3  1  0.19011500  0.80988500  0.19011500  1.0
  Ti  Ti4  1  0.19011500  0.80988500  0.80988500  1.0
  Ti  Ti5  1  0.80988500  0.19011500  0.19011500  1.0
  Ti  Ti6  1  0.44011500  0.44011500  0.05988500  1.0
  Ti  Ti7  1  0.05988500  0.05988500  0.44011500  1.0
  Ti  Ti8  1  0.44011500  0.05988500  0.44011500  1.0
  Ti  Ti9  1  0.05988500  0.44011500  0.05988500  1.0
  Ti  Ti10  1  0.05988500  0.44011500  0.44011500  1.0
  Ti  Ti11  1  0.44011500  0.05988500  0.05988500  1.0
  Ti  Ti12  1  0.12500000  0.62500000  0.62500000  1.0
  Ti  Ti13  1  0.62500000  0.12500000  0.62500000  1.0
  Ti  Ti14  1  0.62500000  0.62500000  0.12500000  1.0
  Ti  Ti15  1  0.62500000  0.62500000  0.62500000  1.0
  Ni  Ni16  1  0.77050300  0.40983200  0.40983200  1.0
  Ni  Ni17  1  0.40983200  0.77050300  0.40983200  1.0
  Ni  Ni18  1  0.40983200  0.40983200  0.77050300  1.0
  Ni  Ni19  1  0.40983200  0.40983200  0.40983200  1.0
  Ni  Ni20  1  0.47949700  0.84016800  0.84016800  1.0
  Ni  Ni21  1  0.84016800  0.47949700  0.84016800  1.0
  Ni  Ni22  1  0.84016800  0.84016800  0.47949700  1.0
  Ni  Ni23  1  0.84016800  0.84016800  0.84016800  1.0
  H  H24  1  0.62500000  0.12500000  0.12500000  1.0
  H  H25  1  0.12500000  0.62500000  0.12500000  1.0
  H  H26  1  0.12500000  0.12500000  0.62500000  1.0
  H  H27  1  0.12500000  0.12500000  0.12500000  1.0
  H  H28  1  0.25000000  0.25000000  0.25000000  1.0
  H  H29  1  0.00000000  0.00000000  0.00000000  1.0
  H  H30  1  0.50000000  0.50000000  0.50000000  1.0
  H  H31  1  0.75000000  0.75000000  0.75000000  1.0