# generated using pymatgen
data_CaTm7(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61108096
_cell_length_b   9.06155354
_cell_length_c   11.43847173
_cell_angle_alpha   89.90658666
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm7(B6Ru)4
_chemical_formula_sum   'Ca1 Tm7 B24 Ru4'
_cell_volume   374.28921402
_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
  Ca  Ca0  1  0.00000000  0.32233547  0.41399603  1.0
  Tm  Tm1  1  0.00000000  0.67613514  0.58461239  1.0
  Tm  Tm2  1  0.00000000  0.82176484  0.08584444  1.0
  Tm  Tm3  1  0.00000000  0.17896102  0.91500733  1.0
  Tm  Tm4  1  0.00000000  0.94358890  0.37067350  1.0
  Tm  Tm5  1  0.00000000  0.05794472  0.62872022  1.0
  Tm  Tm6  1  0.00000000  0.44303908  0.12913430  1.0
  Tm  Tm7  1  0.00000000  0.55624103  0.87257730  1.0
  B  B8  1  0.50000000  0.55513707  0.43300610  1.0
  B  B9  1  0.50000000  0.44651342  0.56808502  1.0
  B  B10  1  0.50000000  0.05294189  0.06579779  1.0
  B  B11  1  0.50000000  0.94594655  0.93283188  1.0
  B  B12  1  0.50000000  0.74894087  0.41946052  1.0
  B  B13  1  0.50000000  0.25198116  0.58217888  1.0
  B  B14  1  0.50000000  0.24776168  0.07983495  1.0
  B  B15  1  0.50000000  0.75166236  0.91983580  1.0
  B  B16  1  0.50000000  0.79188133  0.26510218  1.0
  B  B17  1  0.50000000  0.20922522  0.73540510  1.0
  B  B18  1  0.50000000  0.28968652  0.23307754  1.0
  B  B19  1  0.50000000  0.70896785  0.76577214  1.0
  B  B20  1  0.50000000  0.63198859  0.18491406  1.0
  B  B21  1  0.50000000  0.36891319  0.81611522  1.0
  B  B22  1  0.50000000  0.12978444  0.31345146  1.0
  B  B23  1  0.50000000  0.86886477  0.68483918  1.0
  B  B24  1  0.50000000  0.98189198  0.21136165  1.0
  B  B25  1  0.50000000  0.01747301  0.78752056  1.0
  B  B26  1  0.50000000  0.48415517  0.28713765  1.0
  B  B27  1  0.50000000  0.51759282  0.71314973  1.0
  B  B28  1  0.50000000  0.60769090  0.02988318  1.0
  B  B29  1  0.50000000  0.39270563  0.97078349  1.0
  B  B30  1  0.50000000  0.10177129  0.47175625  1.0
  B  B31  1  0.50000000  0.89574982  0.52882169  1.0
  Ru  Ru32  1  0.00000000  0.64055193  0.31985215  1.0
  Ru  Ru33  1  0.00000000  0.36209896  0.68172260  1.0
  Ru  Ru34  1  0.00000000  0.13584660  0.17700146  1.0
  Ru  Ru35  1  0.00000000  0.86226480  0.82073626  1.0