# generated using pymatgen
data_Sc(SiNi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81225535
_cell_length_b   3.81225535
_cell_length_c   9.59626796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(SiNi)2
_chemical_formula_sum   'Sc2 Si4 Ni4'
_cell_volume   139.46535337
_cell_formula_units_Z   2
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  0.00000000  0.00000000  1
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1
  Si  Si2  1  0.50000000  0.50000000  0.12068300  1
  Si  Si3  1  0.00000000  0.00000000  0.37931700  1
  Si  Si4  1  0.00000000  0.00000000  0.62068300  1
  Si  Si5  1  0.50000000  0.50000000  0.87931700  1
  Ni  Ni6  1  0.50000000  0.00000000  0.25000000  1
  Ni  Ni7  1  0.00000000  0.50000000  0.25000000  1
  Ni  Ni8  1  0.00000000  0.50000000  0.75000000  1
  Ni  Ni9  1  0.50000000  0.00000000  0.75000000  1
