# generated using pymatgen
data_Ta2Ni7(B3Ru7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75607560
_cell_length_b   7.75607565
_cell_length_c   7.75607607
_cell_angle_alpha   60.58881976
_cell_angle_beta   60.58881831
_cell_angle_gamma   60.58881796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ni7(B3Ru7)2
_chemical_formula_sum   'Ta2 Ni7 B6 Ru14'
_cell_volume   334.30968516
_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
  Ta  Ta0  1  0.25258922  0.25258922  0.25258922  1.0
  Ta  Ta1  1  0.74741078  0.74741078  0.74741078  1.0
  Ni  Ni2  1  0.38067890  0.38067890  0.84976417  1.0
  Ni  Ni3  1  0.38067890  0.84976417  0.38067890  1.0
  Ni  Ni4  1  0.61932110  0.61932110  0.15023583  1.0
  Ni  Ni5  1  0.61932110  0.15023583  0.61932110  1.0
  Ni  Ni6  1  0.84976417  0.38067890  0.38067890  1.0
  Ni  Ni7  1  0.15023583  0.61932110  0.61932110  1.0
  Ni  Ni8  1  0.00000000  0.00000000  0.00000000  1.0
  B  B9  1  0.72386283  0.28005406  0.28005406  1.0
  B  B10  1  0.27613717  0.71994594  0.71994594  1.0
  B  B11  1  0.28005406  0.72386283  0.28005406  1.0
  B  B12  1  0.71994594  0.27613717  0.71994594  1.0
  B  B13  1  0.28005406  0.28005406  0.72386283  1.0
  B  B14  1  0.71994594  0.71994594  0.27613717  1.0
  Ru  Ru15  1  0.33808344  0.00206424  0.00206424  1.0
  Ru  Ru16  1  0.66191656  0.99793576  0.99793576  1.0
  Ru  Ru17  1  1.00000000  0.33941309  0.66058691  1.0
  Ru  Ru18  1  0.00000000  0.66058691  0.33941309  1.0
  Ru  Ru19  1  0.00206424  0.33808344  0.00206424  1.0
  Ru  Ru20  1  0.66058691  0.00000000  0.33941309  1.0
  Ru  Ru21  1  0.99793576  0.66191656  0.99793576  1.0
  Ru  Ru22  1  0.33941309  1.00000000  0.66058691  1.0
  Ru  Ru23  1  0.00206424  0.00206424  0.33808344  1.0
  Ru  Ru24  1  0.99793576  0.99793576  0.66191656  1.0
  Ru  Ru25  1  0.66058691  0.33941309  0.00000000  1.0
  Ru  Ru26  1  0.33941309  0.66058691  1.00000000  1.0
  Ru  Ru27  1  0.38707053  0.38707053  0.38707053  1.0
  Ru  Ru28  1  0.61292947  0.61292947  0.61292947  1.0