# generated using pymatgen
data_CaTa5(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45855731
_cell_length_b   9.45855731
_cell_length_c   3.03681029
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.52070421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa5(B2Ru5)2
_chemical_formula_sum   'Ca1 Ta5 B4 Ru10'
_cell_volume   271.67490691
_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  0.82478509  0.67521491  0.00000000  1.0
  Ta  Ta1  1  0.17692212  0.32307788  0.00000000  1.0
  Ta  Ta2  1  0.32519377  0.82303696  0.00000000  1.0
  Ta  Ta3  1  0.67696304  0.17480623  0.00000000  1.0
  Ta  Ta4  1  0.50363154  0.50176242  0.00000000  1.0
  Ta  Ta5  1  0.99823758  0.99636846  0.00000000  1.0
  B  B6  1  0.61912654  0.88087346  0.00000000  1.0
  B  B7  1  0.37626743  0.12373257  0.00000000  1.0
  B  B8  1  0.12341671  0.61893997  0.00000000  1.0
  B  B9  1  0.88106003  0.37658329  0.00000000  1.0
  Ru  Ru10  1  0.55319895  0.72762858  0.50000000  1.0
  Ru  Ru11  1  0.42438079  0.28484641  0.50000000  1.0
  Ru  Ru12  1  0.08832369  0.78305602  0.50000000  1.0
  Ru  Ru13  1  0.93218307  0.21434938  0.50000000  1.0
  Ru  Ru14  1  0.28565062  0.56781693  0.50000000  1.0
  Ru  Ru15  1  0.71694398  0.41167631  0.50000000  1.0
  Ru  Ru16  1  0.21515359  0.07561921  0.50000000  1.0
  Ru  Ru17  1  0.77237142  0.94680105  0.50000000  1.0
  Ru  Ru18  1  0.49389707  0.00610293  0.50000000  1.0
  Ru  Ru19  1  0.01229399  0.48770601  0.50000000  1.0