# generated using pymatgen
data_ZrSc(Nb5As4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07996817
_cell_length_b   10.05839368
_cell_length_c   3.52041463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.41039072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(Nb5As4)2
_chemical_formula_sum   'Zr1 Sc1 Nb10 As8'
_cell_volume   356.90991458
_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
  Zr  Zr0  1  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.14311545  0.82161557  0.50000000  1.0
  Nb  Nb3  1  0.85688455  0.17838443  0.50000000  1.0
  Nb  Nb4  1  0.17963461  0.14462817  0.50000000  1.0
  Nb  Nb5  1  0.82036539  0.85537183  0.50000000  1.0
  Nb  Nb6  1  0.39529567  0.71627770  0.00000000  1.0
  Nb  Nb7  1  0.60470433  0.28372230  0.00000000  1.0
  Nb  Nb8  1  0.28132985  0.39584541  0.00000000  1.0
  Nb  Nb9  1  0.71867015  0.60415459  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  0.24790293  0.58821757  0.50000000  1.0
  As  As13  1  0.75209707  0.41178243  0.50000000  1.0
  As  As14  1  0.41292910  0.24712682  0.50000000  1.0
  As  As15  1  0.58707090  0.75287318  0.50000000  1.0
  As  As16  1  0.28303806  0.96507795  0.00000000  1.0
  As  As17  1  0.71696194  0.03492205  0.00000000  1.0
  As  As18  1  0.03229527  0.28311856  0.00000000  1.0
  As  As19  1  0.96770473  0.71688144  0.00000000  1.0