# generated using pymatgen
data_Sc3Si3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98336453
_cell_length_b   9.68217684
_cell_length_c   13.09237243
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Si3Ni2
_chemical_formula_sum   'Sc12 Si12 Ni8'
_cell_volume   504.94190398
_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  0.00000000  0.08276200  0.88836800  1
  Sc  Sc1  1  0.50000000  0.41723800  0.11163200  1
  Sc  Sc2  1  0.50000000  0.41723800  0.38836800  1
  Sc  Sc3  1  0.00000000  0.36156600  0.75000000  1
  Sc  Sc4  1  0.00000000  0.08276200  0.61163200  1
  Sc  Sc5  1  0.50000000  0.13843400  0.25000000  1
  Sc  Sc6  1  0.50000000  0.58276200  0.88836800  1
  Sc  Sc7  1  0.00000000  0.91723800  0.11163200  1
  Sc  Sc8  1  0.00000000  0.91723800  0.38836800  1
  Sc  Sc9  1  0.50000000  0.86156600  0.75000000  1
  Sc  Sc10  1  0.50000000  0.58276200  0.61163200  1
  Sc  Sc11  1  0.00000000  0.63843400  0.25000000  1
  Si  Si12  1  0.00000000  0.34037600  0.25000000  1
  Si  Si13  1  0.50000000  0.15962400  0.75000000  1
  Si  Si14  1  0.00000000  0.38353900  0.53903000  1
  Si  Si15  1  0.50000000  0.11646100  0.46097000  1
  Si  Si16  1  0.50000000  0.11646100  0.03903000  1
  Si  Si17  1  0.00000000  0.38353900  0.96097000  1
  Si  Si18  1  0.50000000  0.84037600  0.25000000  1
  Si  Si19  1  0.00000000  0.65962400  0.75000000  1
  Si  Si20  1  0.50000000  0.88353900  0.53903000  1
  Si  Si21  1  0.00000000  0.61646100  0.46097000  1
  Si  Si22  1  0.00000000  0.61646100  0.03903000  1
  Si  Si23  1  0.50000000  0.88353900  0.96097000  1
  Ni  Ni24  1  0.00000000  0.20801800  0.40397700  1
  Ni  Ni25  1  0.50000000  0.29198200  0.59602300  1
  Ni  Ni26  1  0.00000000  0.20801800  0.09602300  1
  Ni  Ni27  1  0.50000000  0.29198200  0.90397700  1
  Ni  Ni28  1  0.50000000  0.70801800  0.40397700  1
  Ni  Ni29  1  0.00000000  0.79198200  0.59602300  1
  Ni  Ni30  1  0.50000000  0.70801800  0.09602300  1
  Ni  Ni31  1  0.00000000  0.79198200  0.90397700  1
