# generated using pymatgen
data_ScNb5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08234867
_cell_length_b   10.08234867
_cell_length_c   3.51239927
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb5As4
_chemical_formula_sum   'Sc2 Nb10 As8'
_cell_volume   357.04857335
_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  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.14097358  0.81790497  0.50000000  1.0
  Nb  Nb3  1  0.85902642  0.18209503  0.50000000  1.0
  Nb  Nb4  1  0.18209503  0.14097358  0.50000000  1.0
  Nb  Nb5  1  0.81790497  0.85902642  0.50000000  1.0
  Nb  Nb6  1  0.39236067  0.71524898  0.00000000  1.0
  Nb  Nb7  1  0.60763933  0.28475102  0.00000000  1.0
  Nb  Nb8  1  0.28475102  0.39236067  0.00000000  1.0
  Nb  Nb9  1  0.71524898  0.60763933  0.00000000  1.0
  Nb  Nb10  1  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb11  1  0.00000000  0.00000000  0.00000000  1.0
  As  As12  1  0.24592869  0.58501731  0.50000000  1.0
  As  As13  1  0.75407131  0.41498269  0.50000000  1.0
  As  As14  1  0.41498269  0.24592869  0.50000000  1.0
  As  As15  1  0.58501731  0.75407131  0.50000000  1.0
  As  As16  1  0.28236384  0.96195027  0.00000000  1.0
  As  As17  1  0.71763616  0.03804973  0.00000000  1.0
  As  As18  1  0.03804973  0.28236384  0.00000000  1.0
  As  As19  1  0.96195027  0.71763616  0.00000000  1.0