# generated using pymatgen
data_CaTm3(B6Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61233248
_cell_length_b   9.08228418
_cell_length_c   11.47202565
_cell_angle_alpha   89.82156161
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm3(B6Ru)2
_chemical_formula_sum   'Ca2 Tm6 B24 Ru4'
_cell_volume   376.37503213
_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
  Ca  Ca0  1  0.00000000  0.32378240  0.41511227  1.0
  Ca  Ca1  1  0.00000000  0.67621760  0.58488773  1.0
  Tm  Tm2  1  0.00000000  0.82243212  0.08569520  1.0
  Tm  Tm3  1  0.00000000  0.17756788  0.91430480  1.0
  Tm  Tm4  1  0.00000000  0.94202019  0.36947908  1.0
  Tm  Tm5  1  0.00000000  0.05797981  0.63052092  1.0
  Tm  Tm6  1  0.00000000  0.44258753  0.13062036  1.0
  Tm  Tm7  1  0.00000000  0.55741247  0.86937964  1.0
  B  B8  1  0.50000000  0.55476259  0.43131412  1.0
  B  B9  1  0.50000000  0.44523741  0.56868588  1.0
  B  B10  1  0.50000000  0.05371975  0.06598636  1.0
  B  B11  1  0.50000000  0.94628025  0.93401364  1.0
  B  B12  1  0.50000000  0.74865549  0.41647559  1.0
  B  B13  1  0.50000000  0.25134451  0.58352441  1.0
  B  B14  1  0.50000000  0.24835485  0.08050306  1.0
  B  B15  1  0.50000000  0.75164515  0.91949694  1.0
  B  B16  1  0.50000000  0.79193879  0.26312719  1.0
  B  B17  1  0.50000000  0.20806121  0.73687281  1.0
  B  B18  1  0.50000000  0.28973865  0.23348817  1.0
  B  B19  1  0.50000000  0.71026135  0.76651183  1.0
  B  B20  1  0.50000000  0.63153157  0.18399024  1.0
  B  B21  1  0.50000000  0.36846843  0.81600976  1.0
  B  B22  1  0.50000000  0.12994628  0.31324416  1.0
  B  B23  1  0.50000000  0.87005372  0.68675584  1.0
  B  B24  1  0.50000000  0.98250611  0.21087441  1.0
  B  B25  1  0.50000000  0.01749389  0.78912559  1.0
  B  B26  1  0.50000000  0.48423704  0.28698166  1.0
  B  B27  1  0.50000000  0.51576296  0.71301834  1.0
  B  B28  1  0.50000000  0.60318547  0.02822701  1.0
  B  B29  1  0.50000000  0.39681453  0.97177299  1.0
  B  B30  1  0.50000000  0.09835668  0.47282920  1.0
  B  B31  1  0.50000000  0.90164332  0.52717080  1.0
  Ru  Ru32  1  0.00000000  0.64106700  0.31668198  1.0
  Ru  Ru33  1  0.00000000  0.35893300  0.68331802  1.0
  Ru  Ru34  1  0.00000000  0.13644878  0.17706774  1.0
  Ru  Ru35  1  0.00000000  0.86355122  0.82293226  1.0