# generated using pymatgen
data_ThSnHIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57376534
_cell_length_b   7.30883360
_cell_length_c   8.46605860
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSnHIr
_chemical_formula_sum   'Th4 Sn4 H4 Ir4'
_cell_volume   283.01093950
_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  0.75000000  0.02387987  0.70208384  1.0
  Th  Th1  1  0.25000000  0.97612013  0.29791616  1.0
  Th  Th2  1  0.25000000  0.47612013  0.20208384  1.0
  Th  Th3  1  0.75000000  0.52387987  0.79791616  1.0
  Sn  Sn4  1  0.75000000  0.66337327  0.42174896  1.0
  Sn  Sn5  1  0.25000000  0.33662673  0.57825104  1.0
  Sn  Sn6  1  0.25000000  0.83662673  0.92174896  1.0
  Sn  Sn7  1  0.75000000  0.16337327  0.07825104  1.0
  H  H8  1  0.25000000  0.45614490  0.91907367  1.0
  H  H9  1  0.75000000  0.54385510  0.08092633  1.0
  H  H10  1  0.75000000  0.04385510  0.41907367  1.0
  H  H11  1  0.25000000  0.95614490  0.58092633  1.0
  Ir  Ir12  1  0.75000000  0.77524050  0.09818657  1.0
  Ir  Ir13  1  0.25000000  0.22475950  0.90181343  1.0
  Ir  Ir14  1  0.25000000  0.72475950  0.59818657  1.0
  Ir  Ir15  1  0.75000000  0.27524050  0.40181343  1.0