# generated using pymatgen
data_ScTa(NbB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58638684
_cell_length_b   11.58638694
_cell_length_c   3.35092279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   164.36087992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa(NbB2)3
_chemical_formula_sum   'Sc1 Ta1 Nb3 B6'
_cell_volume   121.26736003
_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  0.00015056  0.99984944  0.00000000  1.0
  Ta  Ta1  1  0.61466501  0.38533499  0.00000000  1.0
  Nb  Nb2  1  0.19427888  0.80572112  0.50000000  1.0
  Nb  Nb3  1  0.80522272  0.19477728  0.50000000  1.0
  Nb  Nb4  1  0.38518231  0.61481769  0.00000000  1.0
  B  B5  1  0.46018982  0.53981018  0.50000000  1.0
  B  B6  1  0.54028502  0.45971498  0.50000000  1.0
  B  B7  1  0.27204614  0.72795386  0.00000000  1.0
  B  B8  1  0.72711852  0.27288148  0.00000000  1.0
  B  B9  1  0.08258101  0.91741899  0.50000000  1.0
  B  B10  1  0.91828002  0.08171998  0.50000000  1.0