# generated using pymatgen
data_Sc3Si3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82975238
_cell_length_b   3.98181279
_cell_length_c   12.81058550
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.24241503
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Si3Ni
_chemical_formula_sum   'Sc12 Si12 Ni4'
_cell_volume   470.44084168
_cell_formula_units_Z   4
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  0.60078200  0.00000000  0.92090600  1
  Sc  Sc1  1  0.47510300  0.00000000  0.62133500  1
  Sc  Sc2  1  0.24268400  0.50000000  0.22635800  1
  Sc  Sc3  1  0.52489700  0.00000000  0.37866500  1
  Sc  Sc4  1  0.39921800  0.00000000  0.07909400  1
  Sc  Sc5  1  0.75731600  0.50000000  0.77364200  1
  Sc  Sc6  1  0.10078200  0.50000000  0.92090600  1
  Sc  Sc7  1  0.97510300  0.50000000  0.62133500  1
  Sc  Sc8  1  0.74268400  0.00000000  0.22635800  1
  Sc  Sc9  1  0.02489700  0.50000000  0.37866500  1
  Sc  Sc10  1  0.89921800  0.50000000  0.07909400  1
  Sc  Sc11  1  0.25731600  0.00000000  0.77364200  1
  Si  Si12  1  0.46133800  0.50000000  0.76344400  1
  Si  Si13  1  0.36735400  0.50000000  0.45428200  1
  Si  Si14  1  0.63264600  0.50000000  0.54571800  1
  Si  Si15  1  0.11781100  0.00000000  0.07567400  1
  Si  Si16  1  0.53866200  0.50000000  0.23655600  1
  Si  Si17  1  0.88218900  0.00000000  0.92432600  1
  Si  Si18  1  0.96133800  0.00000000  0.76344400  1
  Si  Si19  1  0.86735400  0.00000000  0.45428200  1
  Si  Si20  1  0.13264600  0.00000000  0.54571800  1
  Si  Si21  1  0.61781100  0.50000000  0.07567400  1
  Si  Si22  1  0.03866200  0.00000000  0.23655600  1
  Si  Si23  1  0.38218900  0.50000000  0.92432600  1
  Ni  Ni24  1  0.24339100  0.00000000  0.40441300  1
  Ni  Ni25  1  0.75660900  0.00000000  0.59558700  1
  Ni  Ni26  1  0.74339100  0.50000000  0.40441300  1
  Ni  Ni27  1  0.25660900  0.50000000  0.59558700  1
