# generated using pymatgen
data_ThH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13585410
_cell_length_b   4.13585410
_cell_length_c   4.13585410
_cell_angle_alpha   129.63135772
_cell_angle_beta   129.63135772
_cell_angle_gamma   73.99679148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThH3
_chemical_formula_sum   'Th1 H3'
_cell_volume   40.92391556
_cell_formula_units_Z   1
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  -0.00000000  0.00000000  -0.00000000  1.0
  H  H1  1  0.75000100  0.25000100  0.50000000  1.0
  H  H2  1  0.25000100  0.75000100  0.50000000  1.0
  H  H3  1  0.50000000  0.50000000  0.00000000  1.0