# generated using pymatgen
data_Tm3Hf5Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50394969
_cell_length_b   6.80553849
_cell_length_c   8.18541299
_cell_angle_alpha   89.18503092
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Hf5Ir4
_chemical_formula_sum   'Tm3 Hf5 Ir4'
_cell_volume   250.87228583
_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  0.48539659  0.17981089  1.0
  Tm  Tm1  1  0.75000000  0.01175691  0.67626239  1.0
  Tm  Tm2  1  0.75000000  0.51241944  0.82242003  1.0
  Hf  Hf3  1  0.25000000  0.85639535  0.92831021  1.0
  Hf  Hf4  1  0.25000000  0.35585844  0.57408774  1.0
  Hf  Hf5  1  0.75000000  0.14043711  0.08018559  1.0
  Hf  Hf6  1  0.75000000  0.64886127  0.42164012  1.0
  Hf  Hf7  1  0.25000000  0.99136146  0.32884185  1.0
  Ir  Ir8  1  0.25000000  0.23745246  0.90793860  1.0
  Ir  Ir9  1  0.25000000  0.74459532  0.58278697  1.0
  Ir  Ir10  1  0.75000000  0.76157821  0.09305289  1.0
  Ir  Ir11  1  0.75000000  0.25388646  0.40466373  1.0