# generated using pymatgen
data_Zr2Sc(AlNi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95121517
_cell_length_b   6.96311146
_cell_length_c   3.39096630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05662023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Sc(AlNi)3
_chemical_formula_sum   'Zr2 Sc1 Al3 Ni3'
_cell_volume   142.05944643
_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  0.58912070  0.58947423  0.50000000  1.0
  Zr  Zr1  1  0.41087930  0.00035253  0.50000000  1.0
  Sc  Sc2  1  1.00000000  0.40927411  0.50000000  1.0
  Al  Al3  1  0.00000000  0.74709806  0.00000000  1.0
  Al  Al4  1  0.24840405  0.25028646  0.00000000  1.0
  Al  Al5  1  0.75159595  0.00188241  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.99673069  0.50000000  1.0
  Ni  Ni7  1  0.33760425  0.67125388  0.00000000  1.0
  Ni  Ni8  1  0.66239575  0.33364863  0.00000000  1.0