# generated using pymatgen
data_ScTa3(ReB2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06172289
_cell_length_b   6.06172271
_cell_length_c   3.29106406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.22560687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa3(ReB2)2
_chemical_formula_sum   'Sc1 Ta3 Re2 B4'
_cell_volume   120.91740338
_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
  Sc  Sc0  1  0.67909979  0.17909979  0.50000000  1.0
  Ta  Ta1  1  0.82377993  0.67856620  0.50000000  1.0
  Ta  Ta2  1  0.32136804  0.82136804  0.50000000  1.0
  Ta  Ta3  1  0.17856620  0.32377993  0.50000000  1.0
  Re  Re4  1  0.49928504  0.50204665  0.00000000  1.0
  Re  Re5  1  0.00204665  0.99928504  0.00000000  1.0
  B  B6  1  0.11057541  0.61057541  0.00000000  1.0
  B  B7  1  0.60734551  0.88462434  0.00000000  1.0
  B  B8  1  0.38462434  0.10734551  0.00000000  1.0
  B  B9  1  0.89330809  0.39330809  0.00000000  1.0