# generated using pymatgen
data_Sc2GaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00343062
_cell_length_b   5.00343042
_cell_length_c   7.86056298
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaNi3
_chemical_formula_sum   'Sc4 Ga2 Ni6'
_cell_volume   170.41978907
_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  0.33333300  0.66666700  0.44077465  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.55922535  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.94077465  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.05922535  1.0
  Ga  Ga4  1  0.00000000  0.00000000  0.50000000  1.0
  Ga  Ga5  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni6  1  0.82943957  0.17056043  0.25000000  1.0
  Ni  Ni7  1  0.82943957  0.65888013  0.25000000  1.0
  Ni  Ni8  1  0.34111987  0.17056043  0.25000000  1.0
  Ni  Ni9  1  0.17056043  0.82943957  0.75000000  1.0
  Ni  Ni10  1  0.17056043  0.34111987  0.75000000  1.0
  Ni  Ni11  1  0.65888013  0.82943957  0.75000000  1.0