# generated using pymatgen
data_TmHf6(ZrSn2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51521385
_cell_length_b   8.51521403
_cell_length_c   5.77434632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.85947544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmHf6(ZrSn2)3
_chemical_formula_sum   'Tm1 Hf6 Zr3 Sn6'
_cell_volume   359.41631345
_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  0.76608239  0.76608239  0.75000000  1.0
  Hf  Hf1  1  0.25317066  0.00223377  0.75000000  1.0
  Hf  Hf2  1  0.00223377  0.25317066  0.75000000  1.0
  Hf  Hf3  1  0.66488629  0.33299476  0.00033459  1.0
  Hf  Hf4  1  0.33299476  0.66488629  0.00033459  1.0
  Hf  Hf5  1  0.33299476  0.66488629  0.49966541  1.0
  Hf  Hf6  1  0.66488629  0.33299476  0.49966541  1.0
  Zr  Zr7  1  0.23887146  0.23887146  0.25000000  1.0
  Zr  Zr8  1  0.74755976  0.99944619  0.25000000  1.0
  Zr  Zr9  1  0.99944619  0.74755976  0.25000000  1.0
  Sn  Sn10  1  0.39206414  0.39206414  0.75000000  1.0
  Sn  Sn11  1  0.60669001  0.00265860  0.75000000  1.0
  Sn  Sn12  1  0.00265860  0.60669001  0.75000000  1.0
  Sn  Sn13  1  0.60549143  0.60549143  0.25000000  1.0
  Sn  Sn14  1  0.39098907  0.99898442  0.25000000  1.0
  Sn  Sn15  1  0.99898442  0.39098907  0.25000000  1.0