# generated using pymatgen
data_Tm3ZnNi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34216869
_cell_length_b   5.34216892
_cell_length_c   12.84549492
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.07652616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3ZnNi2Ir
_chemical_formula_sum   'Tm6 Zn2 Ni4 Ir2'
_cell_volume   258.87506714
_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  0.29785424  0.70214576  0.39534130  1.0
  Tm  Tm1  1  0.70214576  0.29785424  0.60465870  1.0
  Tm  Tm2  1  0.98361760  0.01638240  0.75000000  1.0
  Tm  Tm3  1  0.01638240  0.98361760  0.25000000  1.0
  Tm  Tm4  1  0.70214576  0.29785424  0.89534130  1.0
  Tm  Tm5  1  0.29785424  0.70214576  0.10465870  1.0
  Zn  Zn6  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn7  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni8  1  0.41730847  0.58269153  0.91327605  1.0
  Ni  Ni9  1  0.58269153  0.41730847  0.08672395  1.0
  Ni  Ni10  1  0.58269153  0.41730847  0.41327605  1.0
  Ni  Ni11  1  0.41730847  0.58269153  0.58672395  1.0
  Ir  Ir12  1  0.72745506  0.27254494  0.25000000  1.0
  Ir  Ir13  1  0.27254494  0.72745506  0.75000000  1.0