# generated using pymatgen
data_TmTh3(ZnIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02438446
_cell_length_b   7.09103975
_cell_length_c   8.34050975
_cell_angle_alpha   89.82569573
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh3(ZnIr)4
_chemical_formula_sum   'Tm1 Th3 Zn4 Ir4'
_cell_volume   238.01261092
_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
  Tm  Tm0  1  0.25000000  0.05303288  0.31167108  1.0
  Th  Th1  1  0.25000000  0.55035292  0.19182545  1.0
  Th  Th2  1  0.75000000  0.45191361  0.81366153  1.0
  Th  Th3  1  0.75000000  0.95318596  0.68051164  1.0
  Zn  Zn4  1  0.25000000  0.62462136  0.55679322  1.0
  Zn  Zn5  1  0.75000000  0.36176094  0.43731816  1.0
  Zn  Zn6  1  0.75000000  0.88445631  0.06528115  1.0
  Zn  Zn7  1  0.25000000  0.12183762  0.94598835  1.0
  Ir  Ir8  1  0.25000000  0.74450927  0.87072220  1.0
  Ir  Ir9  1  0.75000000  0.25779164  0.12653785  1.0
  Ir  Ir10  1  0.75000000  0.75439909  0.37215054  1.0
  Ir  Ir11  1  0.25000000  0.24214139  0.62753985  1.0