# generated using pymatgen
data_Sc5Ni16(MoAs4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.43281209
_cell_length_b   12.43281196
_cell_length_c   3.73592625
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Ni16(MoAs4)3
_chemical_formula_sum   'Sc5 Ni16 Mo3 As12'
_cell_volume   500.11241610
_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  0.17921306  0.17921306  0.50000000  1.0
  Sc  Sc1  1  0.82078694  0.00000000  0.50000000  1.0
  Sc  Sc2  1  0.00000000  0.82078694  0.50000000  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc4  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni5  1  0.71684712  0.71684712  0.50000000  1.0
  Ni  Ni6  1  0.28315288  0.00000000  0.50000000  1.0
  Ni  Ni7  1  0.00000000  0.28315288  0.50000000  1.0
  Ni  Ni8  1  0.18020251  0.37436214  0.00000000  1.0
  Ni  Ni9  1  0.62563786  0.80584037  0.00000000  1.0
  Ni  Ni10  1  0.19415963  0.81979749  0.00000000  1.0
  Ni  Ni11  1  0.80584037  0.62563786  0.00000000  1.0
  Ni  Ni12  1  0.81979749  0.19415963  0.00000000  1.0
  Ni  Ni13  1  0.37436214  0.18020251  0.00000000  1.0
  Ni  Ni14  1  0.35595825  0.48112166  0.50000000  1.0
  Ni  Ni15  1  0.51887834  0.87483660  0.50000000  1.0
  Ni  Ni16  1  0.12516340  0.64404175  0.50000000  1.0
  Ni  Ni17  1  0.87483660  0.51887834  0.50000000  1.0
  Ni  Ni18  1  0.64404175  0.12516340  0.50000000  1.0
  Ni  Ni19  1  0.48112166  0.35595825  0.50000000  1.0
  Ni  Ni20  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo21  1  0.55662273  0.55662273  0.00000000  1.0
  Mo  Mo22  1  0.44337727  1.00000000  0.00000000  1.0
  Mo  Mo23  1  1.00000000  0.44337727  0.00000000  1.0
  As  As24  1  0.82350017  0.82350017  0.00000000  1.0
  As  As25  1  0.17649983  0.00000000  0.00000000  1.0
  As  As26  1  0.00000000  0.17649983  0.00000000  1.0
  As  As27  1  0.16947720  0.48588099  0.50000000  1.0
  As  As28  1  0.51411901  0.68359521  0.50000000  1.0
  As  As29  1  0.31640479  0.83052280  0.50000000  1.0
  As  As30  1  0.68359521  0.51411901  0.50000000  1.0
  As  As31  1  0.83052280  0.31640479  0.50000000  1.0
  As  As32  1  0.48588099  0.16947720  0.50000000  1.0
  As  As33  1  0.35641065  0.35641065  0.00000000  1.0
  As  As34  1  0.64358935  1.00000000  0.00000000  1.0
  As  As35  1  1.00000000  0.64358935  0.00000000  1.0