# generated using pymatgen
data_SmTh2(SnIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57083275
_cell_length_b   7.57083221
_cell_length_c   4.08781682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.40490184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh2(SnIr)3
_chemical_formula_sum   'Sm1 Th2 Sn3 Ir3'
_cell_volume   202.07979130
_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  0.40745008  0.40745008  0.00000000  1.0
  Th  Th1  1  0.58788854  0.00028249  0.00000000  1.0
  Th  Th2  1  0.00028249  0.58788854  0.00000000  1.0
  Sn  Sn3  1  0.25133918  0.00888296  0.50000000  1.0
  Sn  Sn4  1  0.00888296  0.25133918  0.50000000  1.0
  Sn  Sn5  1  0.73979338  0.73979338  0.50000000  1.0
  Ir  Ir6  1  0.33165449  0.68065795  0.50000000  1.0
  Ir  Ir7  1  0.68065795  0.33165449  0.50000000  1.0
  Ir  Ir8  1  0.99205091  0.99205091  0.00000000  1.0