# generated using pymatgen
data_Tm12Ni4HgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10369198
_cell_length_b   8.10354425
_cell_length_c   8.10360154
_cell_angle_alpha   107.64013703
_cell_angle_beta   109.92187187
_cell_angle_gamma   110.86615000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm12Ni4HgRu
_chemical_formula_sum   'Tm12 Ni4 Hg1 Ru1'
_cell_volume   409.32170109
_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  0.68980579  0.27300092  0.96281132  1.0
  Tm  Tm1  1  0.31017151  0.72698866  0.03715554  1.0
  Tm  Tm2  1  0.68980303  0.72699103  0.41679472  1.0
  Tm  Tm3  1  0.31016368  0.27302332  0.58318645  1.0
  Tm  Tm4  1  0.80418624  0.12845956  0.32426102  1.0
  Tm  Tm5  1  0.80416806  0.47991212  0.67571939  1.0
  Tm  Tm6  1  0.19581124  0.87155134  0.67573003  1.0
  Tm  Tm7  1  0.19581266  0.52007840  0.32426839  1.0
  Tm  Tm8  1  0.59961642  0.77902173  0.82059594  1.0
  Tm  Tm9  1  0.95842419  0.77899754  0.17942389  1.0
  Tm  Tm10  1  0.04157579  0.22098517  0.82059335  1.0
  Tm  Tm11  1  0.40041576  0.22099371  0.17942061  1.0
  Ni  Ni12  1  0.85510506  0.50002356  0.35507899  1.0
  Ni  Ni13  1  0.14486816  0.49998700  0.64489519  1.0
  Ni  Ni14  1  0.00001994  0.11948396  0.11950375  1.0
  Ni  Ni15  1  0.00006251  0.88050240  0.88057038  1.0
  Hg  Hg16  1  0.49999491  0.00000499  0.49999281  1.0
  Ru  Ru17  1  0.49999505  0.49999660  0.99999526  1.0