# generated using pymatgen
data_SmThIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40928381
_cell_length_b   5.40928335
_cell_length_c   5.40928309
_cell_angle_alpha   59.99999554
_cell_angle_beta   59.99999833
_cell_angle_gamma   59.99999958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmThIr4
_chemical_formula_sum   'Sm1 Th1 Ir4'
_cell_volume   111.91909520
_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
  Sm  Sm0  1  0.25000000  0.25000000  0.25000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir2  1  0.62458354  0.62458354  0.62458354  1.0
  Ir  Ir3  1  0.12624838  0.62458354  0.62458354  1.0
  Ir  Ir4  1  0.62458354  0.12624838  0.62458354  1.0
  Ir  Ir5  1  0.62458354  0.62458354  0.12624838  1.0