# generated using pymatgen
data_ThSiNiH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13973238
_cell_length_b   4.13973204
_cell_length_c   8.17183001
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiNiH2
_chemical_formula_sum   'Th2 Si2 Ni2 H4'
_cell_volume   121.28146689
_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
  Th  Th0  1  0.00000000  0.00000000  0.50000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si2  1  0.33333300  0.66666700  0.75000000  1.0
  Si  Si3  1  0.66666700  0.33333300  0.25000000  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.75000000  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.25000000  1.0
  H  H6  1  0.33333300  0.66666700  0.44691916  1.0
  H  H7  1  0.66666700  0.33333300  0.55308084  1.0
  H  H8  1  0.33333300  0.66666700  0.05308084  1.0
  H  H9  1  0.66666700  0.33333300  0.94691916  1.0