# generated using pymatgen
data_Ta3Ni16(B3Rh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56636062
_cell_length_b   7.56636032
_cell_length_c   7.56636038
_cell_angle_alpha   59.99999972
_cell_angle_beta   60.00000104
_cell_angle_gamma   60.00000184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ni16(B3Rh2)2
_chemical_formula_sum   'Ta3 Ni16 B6 Rh4'
_cell_volume   306.29935927
_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  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.75000000  0.75000000  0.75000000  1.0
  Ta  Ta2  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni3  1  0.37867997  0.37867997  0.86396009  1.0
  Ni  Ni4  1  0.37867997  0.86396009  0.37867997  1.0
  Ni  Ni5  1  0.86396009  0.37867997  0.37867997  1.0
  Ni  Ni6  1  0.37867997  0.37867997  0.37867997  1.0
  Ni  Ni7  1  0.00333447  0.00333447  0.33632811  1.0
  Ni  Ni8  1  0.65700294  0.00333447  0.33632811  1.0
  Ni  Ni9  1  0.00333447  0.65700294  0.33632811  1.0
  Ni  Ni10  1  0.65700294  0.33632811  0.00333447  1.0
  Ni  Ni11  1  0.00333447  0.33632811  0.00333447  1.0
  Ni  Ni12  1  0.00333447  0.33632811  0.65700294  1.0
  Ni  Ni13  1  0.33632811  0.65700294  0.00333447  1.0
  Ni  Ni14  1  0.33632811  0.00333447  0.65700294  1.0
  Ni  Ni15  1  0.33632811  0.00333447  0.00333447  1.0
  Ni  Ni16  1  0.00333447  0.00333447  0.65700294  1.0
  Ni  Ni17  1  0.00333447  0.65700294  0.00333447  1.0
  Ni  Ni18  1  0.65700294  0.00333447  0.00333447  1.0
  B  B19  1  0.73523287  0.73523287  0.26476713  1.0
  B  B20  1  0.26476713  0.73523287  0.26476713  1.0
  B  B21  1  0.73523287  0.26476713  0.26476713  1.0
  B  B22  1  0.26476713  0.26476713  0.73523287  1.0
  B  B23  1  0.73523287  0.26476713  0.73523287  1.0
  B  B24  1  0.26476713  0.73523287  0.73523287  1.0
  Rh  Rh25  1  0.61559207  0.61559207  0.15322278  1.0
  Rh  Rh26  1  0.61559207  0.15322278  0.61559207  1.0
  Rh  Rh27  1  0.15322278  0.61559207  0.61559207  1.0
  Rh  Rh28  1  0.61559207  0.61559207  0.61559207  1.0