# generated using pymatgen
data_TmZrB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53673963
_cell_length_b   9.00125200
_cell_length_c   11.32358052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmZrB6Ru
_chemical_formula_sum   'Tm4 Zr4 B24 Ru4'
_cell_volume   360.48714430
_cell_formula_units_Z   4
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  0.00000000  0.32204665  0.41360672  1.0
  Tm  Tm1  1  0.00000000  0.67795335  0.58639328  1.0
  Tm  Tm2  1  0.00000000  0.82204665  0.08639328  1.0
  Tm  Tm3  1  0.00000000  0.17795335  0.91360672  1.0
  Zr  Zr4  1  0.00000000  0.94464106  0.37409459  1.0
  Zr  Zr5  1  0.00000000  0.05535894  0.62590541  1.0
  Zr  Zr6  1  0.00000000  0.44464106  0.12590541  1.0
  Zr  Zr7  1  0.00000000  0.55535894  0.87409459  1.0
  B  B8  1  0.50000000  0.55411744  0.43401783  1.0
  B  B9  1  0.50000000  0.44588256  0.56598217  1.0
  B  B10  1  0.50000000  0.05411744  0.06598217  1.0
  B  B11  1  0.50000000  0.94588256  0.93401783  1.0
  B  B12  1  0.50000000  0.75139121  0.41925729  1.0
  B  B13  1  0.50000000  0.24860879  0.58074271  1.0
  B  B14  1  0.50000000  0.25139121  0.08074271  1.0
  B  B15  1  0.50000000  0.74860879  0.91925729  1.0
  B  B16  1  0.50000000  0.79501218  0.26314721  1.0
  B  B17  1  0.50000000  0.20498782  0.73685279  1.0
  B  B18  1  0.50000000  0.29501218  0.23685279  1.0
  B  B19  1  0.50000000  0.70498782  0.76314721  1.0
  B  B20  1  0.50000000  0.63106260  0.18296772  1.0
  B  B21  1  0.50000000  0.36893740  0.81703228  1.0
  B  B22  1  0.50000000  0.13106260  0.31703228  1.0
  B  B23  1  0.50000000  0.86893740  0.68296772  1.0
  B  B24  1  0.50000000  0.98186934  0.21209428  1.0
  B  B25  1  0.50000000  0.01813066  0.78790572  1.0
  B  B26  1  0.50000000  0.48186934  0.28790572  1.0
  B  B27  1  0.50000000  0.51813066  0.71209428  1.0
  B  B28  1  0.50000000  0.60361839  0.02790011  1.0
  B  B29  1  0.50000000  0.39638161  0.97209989  1.0
  B  B30  1  0.50000000  0.10361839  0.47209989  1.0
  B  B31  1  0.50000000  0.89638161  0.52790011  1.0
  Ru  Ru32  1  0.00000000  0.64178607  0.31920307  1.0
  Ru  Ru33  1  0.00000000  0.35821393  0.68079693  1.0
  Ru  Ru34  1  0.00000000  0.14178607  0.18079693  1.0
  Ru  Ru35  1  0.00000000  0.85821393  0.81920307  1.0