# generated using pymatgen
data_ZrSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29017602
_cell_length_b   6.18208380
_cell_length_c   7.65057995
_cell_angle_alpha   102.92470384
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.43266147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2
_chemical_formula_sum   'Zr2 Sc4'
_cell_volume   145.90903190
_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
  Zr  Zr0  1  0.47830712  0.95661423  0.19159084  1.0
  Zr  Zr1  1  0.52169288  0.04338577  0.80840916  1.0
  Sc  Sc2  1  0.80756108  0.61512115  0.86199284  1.0
  Sc  Sc3  1  0.19243892  0.38487885  0.13800716  1.0
  Sc  Sc4  1  0.86630870  0.73261740  0.47028704  1.0
  Sc  Sc5  1  0.13369130  0.26738260  0.52971296  1.0