# generated using pymatgen
data_ScSi3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79038613
_cell_length_b   3.79038613
_cell_length_c   23.79985127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi3Ni2
_chemical_formula_sum   'Sc4 Si12 Ni8'
_cell_volume   341.93310614
_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  0.50000000  0.50000000  0.35041700  1
  Sc  Sc1  1  0.00000000  0.00000000  0.14958300  1
  Sc  Sc2  1  0.00000000  0.00000000  0.85041700  1
  Sc  Sc3  1  0.50000000  0.50000000  0.64958300  1
  Si  Si4  1  0.50000000  0.00000000  0.45029900  1
  Si  Si5  1  0.00000000  0.50000000  0.45029900  1
  Si  Si6  1  0.00000000  0.50000000  0.04970100  1
  Si  Si7  1  0.00000000  0.00000000  0.30606100  1
  Si  Si8  1  0.50000000  0.50000000  0.19393900  1
  Si  Si9  1  0.50000000  0.00000000  0.04970100  1
  Si  Si10  1  0.00000000  0.50000000  0.95029900  1
  Si  Si11  1  0.50000000  0.00000000  0.95029900  1
  Si  Si12  1  0.50000000  0.00000000  0.54970100  1
  Si  Si13  1  0.50000000  0.50000000  0.80606100  1
  Si  Si14  1  0.00000000  0.00000000  0.69393900  1
  Si  Si15  1  0.00000000  0.50000000  0.54970100  1
  Ni  Ni16  1  0.50000000  0.00000000  0.25000000  1
  Ni  Ni17  1  0.00000000  0.50000000  0.25000000  1
  Ni  Ni18  1  0.00000000  0.00000000  0.40022700  1
  Ni  Ni19  1  0.50000000  0.50000000  0.09977300  1
  Ni  Ni20  1  0.00000000  0.50000000  0.75000000  1
  Ni  Ni21  1  0.50000000  0.00000000  0.75000000  1
  Ni  Ni22  1  0.50000000  0.50000000  0.90022700  1
  Ni  Ni23  1  0.00000000  0.00000000  0.59977300  1
