# generated using pymatgen
data_CaTb5(Si3Ru)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09619101
_cell_length_b   10.09619053
_cell_length_c   8.12456186
_cell_angle_alpha   89.93013336
_cell_angle_beta   90.06986662
_cell_angle_gamma   132.56894430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb5(Si3Ru)8
_chemical_formula_sum   'Ca1 Tb5 Si24 Ru8'
_cell_volume   609.91048850
_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  0.50237148  0.00237148  0.75000000  1.0
  Tb  Tb1  1  0.50024197  0.50029859  0.50045530  1.0
  Tb  Tb2  1  0.00029859  0.00024197  0.99954470  1.0
  Tb  Tb3  1  0.99779911  0.49779911  0.25000000  1.0
  Tb  Tb4  1  0.49680422  0.99680422  0.25000000  1.0
  Tb  Tb5  1  0.00294874  0.50294874  0.75000000  1.0
  Si  Si6  1  0.79364278  0.20452193  0.50064969  1.0
  Si  Si7  1  0.29528461  0.70660437  0.99873705  1.0
  Si  Si8  1  0.20660437  0.79528461  0.50126295  1.0
  Si  Si9  1  0.70452193  0.29364278  0.99935031  1.0
  Si  Si10  1  0.33393252  0.33522857  0.83437197  1.0
  Si  Si11  1  0.66525839  0.66729454  0.16548111  1.0
  Si  Si12  1  0.16729454  0.16525839  0.33451889  1.0
  Si  Si13  1  0.83522857  0.83393252  0.66562803  1.0
  Si  Si14  1  0.12022031  0.88574594  0.72707784  1.0
  Si  Si15  1  0.11226491  0.87857417  0.27368277  1.0
  Si  Si16  1  0.61205487  0.37840257  0.22676315  1.0
  Si  Si17  1  0.62299992  0.38871584  0.77286212  1.0
  Si  Si18  1  0.87840257  0.11205487  0.27323685  1.0
  Si  Si19  1  0.88871584  0.12299992  0.72713788  1.0
  Si  Si20  1  0.38574594  0.62022031  0.77292216  1.0
  Si  Si21  1  0.37857417  0.61226491  0.22631723  1.0
  Si  Si22  1  0.34402317  0.10989222  0.50376519  1.0
  Si  Si23  1  0.89025959  0.65655912  0.49489013  1.0
  Si  Si24  1  0.38984229  0.15551002  0.00644509  1.0
  Si  Si25  1  0.84323474  0.60994920  0.99446764  1.0
  Si  Si26  1  0.65551002  0.88984229  0.49355491  1.0
  Si  Si27  1  0.10994920  0.34323474  0.50553236  1.0
  Si  Si28  1  0.60989222  0.84402317  0.99623481  1.0
  Si  Si29  1  0.15655912  0.39025959  0.00510987  1.0
  Ru  Ru30  1  0.67049413  0.33221276  0.49858785  1.0
  Ru  Ru31  1  0.16680689  0.82923034  0.00206835  1.0
  Ru  Ru32  1  0.32923034  0.66680689  0.49793165  1.0
  Ru  Ru33  1  0.83221276  0.17049413  0.00141215  1.0
  Ru  Ru34  1  0.12710206  0.12703385  0.62737831  1.0
  Ru  Ru35  1  0.87299843  0.87364082  0.37293073  1.0
  Ru  Ru36  1  0.37364082  0.37299843  0.12706927  1.0
  Ru  Ru37  1  0.62703385  0.62710206  0.87262169  1.0