# generated using pymatgen
data_Sc2Tc4NiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06721914
_cell_length_b   8.36338218
_cell_length_c   9.83652073
_cell_angle_alpha   89.99658911
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Tc4NiB4
_chemical_formula_sum   'Sc4 Tc8 Ni2 B8'
_cell_volume   252.32963458
_cell_formula_units_Z   2
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  0.50000000  0.83811149  0.18546572  1.0
  Sc  Sc1  1  0.50000000  0.16188851  0.81453428  1.0
  Sc  Sc2  1  0.50000000  0.66188135  0.68538751  1.0
  Sc  Sc3  1  0.50000000  0.33811865  0.31461249  1.0
  Tc  Tc4  1  0.00000000  0.66522971  0.95821543  1.0
  Tc  Tc5  1  0.00000000  0.33477029  0.04178457  1.0
  Tc  Tc6  1  0.00000000  0.83476472  0.45822607  1.0
  Tc  Tc7  1  0.00000000  0.16523528  0.54177393  1.0
  Tc  Tc8  1  0.00000000  0.41011961  0.75352129  1.0
  Tc  Tc9  1  0.00000000  0.58988039  0.24647871  1.0
  Tc  Tc10  1  0.00000000  0.91011697  0.74648387  1.0
  Tc  Tc11  1  0.00000000  0.08988303  0.25351613  1.0
  Ni  Ni12  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni13  1  0.00000000  0.50000000  0.50000000  1.0
  B  B14  1  0.50000000  0.96897304  0.59000976  1.0
  B  B15  1  0.50000000  0.03102696  0.40999024  1.0
  B  B16  1  0.50000000  0.85577535  0.90427778  1.0
  B  B17  1  0.50000000  0.14422465  0.09572222  1.0
  B  B18  1  0.50000000  0.64424096  0.40431970  1.0
  B  B19  1  0.50000000  0.35575904  0.59568030  1.0
  B  B20  1  0.50000000  0.46896821  0.91000703  1.0
  B  B21  1  0.50000000  0.53103179  0.08999297  1.0