# generated using pymatgen
data_ScNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27207372
_cell_length_b   5.27206904
_cell_length_c   4.17617690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99689495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi3
_chemical_formula_sum   'Sc2 Ni6'
_cell_volume   100.52768214
_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  0.33331559  0.66668441  0.75000000  1.0
  Sc  Sc1  1  0.66668441  0.33331559  0.25000000  1.0
  Ni  Ni2  1  0.15487683  0.30977968  0.25000000  1.0
  Ni  Ni3  1  0.69022032  0.84512317  0.25000000  1.0
  Ni  Ni4  1  0.15490044  0.84509956  0.25000000  1.0
  Ni  Ni5  1  0.84512317  0.69022032  0.75000000  1.0
  Ni  Ni6  1  0.30977968  0.15487683  0.75000000  1.0
  Ni  Ni7  1  0.84509956  0.15490044  0.75000000  1.0