# generated using pymatgen
data_Th(TiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20866645
_cell_length_b   6.20866645
_cell_length_c   10.01917900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(TiH3)2
_chemical_formula_sum   'Th4 Ti8 H24'
_cell_volume   334.47172031
_cell_formula_units_Z   4
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
  Th  Th0  1  0.33333300  0.66666700  0.43964900  1.0
  Th  Th1  1  0.66666700  0.33333300  0.93964900  1.0
  Th  Th2  1  0.66666700  0.33333300  0.56035100  1.0
  Th  Th3  1  0.33333300  0.66666700  0.06035100  1.0
  Ti  Ti4  1  0.16692000  0.33384000  0.75000000  1.0
  Ti  Ti5  1  0.83308000  0.16692000  0.25000000  1.0
  Ti  Ti6  1  0.33384000  0.16692000  0.25000000  1.0
  Ti  Ti7  1  0.66616000  0.83308000  0.75000000  1.0
  Ti  Ti8  1  0.16692000  0.83308000  0.75000000  1.0
  Ti  Ti9  1  0.83308000  0.66616000  0.25000000  1.0
  Ti  Ti10  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti11  1  0.00000000  0.00000000  0.00000000  1.0
  H  H12  1  0.15423900  0.84576100  0.56757500  1.0
  H  H13  1  0.15423900  0.30847900  0.56757500  1.0
  H  H14  1  0.69152100  0.84576100  0.56757500  1.0
  H  H15  1  0.30847900  0.15423900  0.06757500  1.0
  H  H16  1  0.84576100  0.69152100  0.43242500  1.0
  H  H17  1  0.84576100  0.15423900  0.06757500  1.0
  H  H18  1  0.84576100  0.69152100  0.06757500  1.0
  H  H19  1  0.15423900  0.84576100  0.93242500  1.0
  H  H20  1  0.69152100  0.84576100  0.93242500  1.0
  H  H21  1  0.30847900  0.15423900  0.43242500  1.0
  H  H22  1  0.84576100  0.15423900  0.43242500  1.0
  H  H23  1  0.15423900  0.30847900  0.93242500  1.0
  H  H24  1  0.54189400  0.08378900  0.35262600  1.0
  H  H25  1  0.45810600  0.54189400  0.85262600  1.0
  H  H26  1  0.08378900  0.54189400  0.85262600  1.0
  H  H27  1  0.91621100  0.45810600  0.35262600  1.0
  H  H28  1  0.54189400  0.45810600  0.35262600  1.0
  H  H29  1  0.45810600  0.91621100  0.64737400  1.0
  H  H30  1  0.45810600  0.54189400  0.64737400  1.0
  H  H31  1  0.45810600  0.91621100  0.85262600  1.0
  H  H32  1  0.08378900  0.54189400  0.64737400  1.0
  H  H33  1  0.91621100  0.45810600  0.14737400  1.0
  H  H34  1  0.54189400  0.08378900  0.14737400  1.0
  H  H35  1  0.54189400  0.45810600  0.14737400  1.0