# generated using pymatgen
data_ZrSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28284567
_cell_length_b   3.28284567
_cell_length_c   5.15500536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00011594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc
_chemical_formula_sum   'Zr1 Sc1'
_cell_volume   48.11274985
_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  0.99999998  0.00000002  -0.00000000  1.0
  Sc  Sc1  1  0.33333302  0.66666698  0.50000000  1.0