# generated using pymatgen
data_TbZr3(BRu)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10163741
_cell_length_b   7.39354224
_cell_length_c   7.39354314
_cell_angle_alpha   90.01870388
_cell_angle_beta   113.95586757
_cell_angle_gamma   113.95586627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbZr3(BRu)16
_chemical_formula_sum   'Tb1 Zr3 B16 Ru16'
_cell_volume   407.30166882
_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
  Tb  Tb0  1  0.24999900  0.12500000  0.87500000  1.0
  Zr  Zr1  1  0.75000000  0.87499900  0.12499900  1.0
  Zr  Zr2  1  0.24999900  0.62499900  0.37500000  1.0
  Zr  Zr3  1  0.75000000  0.37500000  0.62500000  1.0
  B  B4  1  0.91526707  0.28684792  0.07128155  1.0
  B  B5  1  0.41160004  0.56423367  0.12145568  1.0
  B  B6  1  0.08839996  0.20985765  0.15263563  1.0
  B  B7  1  0.58615175  0.15614118  0.21337195  1.0
  B  B8  1  0.41267081  0.06407060  0.28999021  1.0
  B  B9  1  0.91526707  0.62841915  0.34398452  1.0
  B  B10  1  0.58473293  0.65601448  0.37158185  1.0
  B  B11  1  0.08839996  0.87854432  0.43576633  1.0
  B  B12  1  0.91384825  0.12722020  0.56998943  1.0
  B  B13  1  0.41267081  0.34859920  0.62267960  1.0
  B  B14  1  0.08732919  0.37732040  0.65140080  1.0
  B  B15  1  0.58473293  0.92871745  0.71315108  1.0
  B  B16  1  0.41160004  0.84736437  0.79014235  1.0
  B  B17  1  0.91384825  0.78662805  0.84385982  1.0
  B  B18  1  0.58615175  0.43001057  0.87277880  1.0
  B  B19  1  0.08732919  0.71000979  0.93592940  1.0
  Ru  Ru20  1  0.87236655  0.54780064  0.03140346  1.0
  Ru  Ru21  1  0.37435009  0.83342863  0.05470179  1.0
  Ru  Ru22  1  0.12564991  0.94529821  0.16657137  1.0
  Ru  Ru23  1  0.62987299  0.47043679  0.17732185  1.0
  Ru  Ru24  1  0.37489362  0.33849945  0.32286115  1.0
  Ru  Ru25  1  0.87236655  0.32456591  0.34096409  1.0
  Ru  Ru26  1  0.62763345  0.96859754  0.45219936  1.0
  Ru  Ru27  1  0.12564991  0.18035270  0.45907854  1.0
  Ru  Ru28  1  0.87012701  0.82267915  0.52956221  1.0
  Ru  Ru29  1  0.37489362  0.03639518  0.55203147  1.0
  Ru  Ru30  1  0.12510638  0.67713885  0.66150055  1.0
  Ru  Ru31  1  0.62763345  0.65903691  0.67543309  1.0
  Ru  Ru32  1  0.37435009  0.54092146  0.81964730  1.0
  Ru  Ru33  1  0.87012701  0.04744886  0.84056480  1.0
  Ru  Ru34  1  0.62987299  0.15943620  0.95255014  1.0
  Ru  Ru35  1  0.12510638  0.44796853  0.96360482  1.0