# generated using pymatgen
data_Sc2AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02942996
_cell_length_b   5.02943015
_cell_length_c   4.87839808
_cell_angle_alpha   58.97047880
_cell_angle_beta   58.97047742
_cell_angle_gamma   60.00000554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlNi3
_chemical_formula_sum   'Sc2 Al1 Ni3'
_cell_volume   85.87433497
_cell_formula_units_Z   1
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  0.24918510  0.24918510  0.25244369  1.0
  Sc  Sc1  1  0.00081490  0.00081490  0.99755631  1.0
  Al  Al2  1  0.62500000  0.62500000  0.12500000  1.0
  Ni  Ni3  1  0.62500000  0.12500000  0.62500000  1.0
  Ni  Ni4  1  0.12500000  0.62500000  0.62500000  1.0
  Ni  Ni5  1  0.62500000  0.62500000  0.62500000  1.0