# generated using pymatgen
data_ZrSc(Al2Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17956889
_cell_length_b   5.17956974
_cell_length_c   6.52213420
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.28056151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(Al2Ni)2
_chemical_formula_sum   'Zr1 Sc1 Al4 Ni2'
_cell_volume   125.27008510
_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
  Zr  Zr0  1  0.56759383  0.43240617  0.75000000  1.0
  Sc  Sc1  1  0.43219886  0.56780114  0.25000000  1.0
  Al  Al2  1  0.85506382  0.14493618  0.94945516  1.0
  Al  Al3  1  0.14519770  0.85480230  0.04922879  1.0
  Al  Al4  1  0.14519770  0.85480230  0.45077121  1.0
  Al  Al5  1  0.85506382  0.14493618  0.55054484  1.0
  Ni  Ni6  1  0.29220131  0.70779869  0.75000000  1.0
  Ni  Ni7  1  0.70748297  0.29251703  0.25000000  1.0