# generated using pymatgen
data_Tm3ZrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56295075
_cell_length_b   6.96375819
_cell_length_c   8.41743598
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3ZrIr2
_chemical_formula_sum   'Tm6 Zr2 Ir4'
_cell_volume   267.46643248
_cell_formula_units_Z   2
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  0.75000000  0.14649870  0.08186976  1.0
  Tm  Tm1  1  0.75000000  0.64649870  0.41813024  1.0
  Tm  Tm2  1  0.25000000  0.99215456  0.33732949  1.0
  Tm  Tm3  1  0.25000000  0.49215456  0.16267051  1.0
  Tm  Tm4  1  0.75000000  0.01192739  0.67982289  1.0
  Tm  Tm5  1  0.75000000  0.51192739  0.82017711  1.0
  Zr  Zr6  1  0.25000000  0.85953894  0.92477528  1.0
  Zr  Zr7  1  0.25000000  0.35953894  0.57522472  1.0
  Ir  Ir8  1  0.25000000  0.24094889  0.89636701  1.0
  Ir  Ir9  1  0.25000000  0.74094889  0.60363299  1.0
  Ir  Ir10  1  0.75000000  0.74893251  0.07888456  1.0
  Ir  Ir11  1  0.75000000  0.24893251  0.42111544  1.0