# generated using pymatgen
data_YScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59058987
_cell_length_b   3.59058987
_cell_length_c   12.44423900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScO3
_chemical_formula_sum   'Y2 Sc2 O6'
_cell_volume   138.94105352
_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
  Y  Y0  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y1  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.25000000  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.75000000  1.0
  O  O4  1  0.33333300  0.66666700  0.08309300  1.0
  O  O5  1  0.33333300  0.66666700  0.41690700  1.0
  O  O6  1  0.00000000  0.00000000  0.25000000  1.0
  O  O7  1  0.00000000  0.00000000  0.75000000  1.0
  O  O8  1  0.66666700  0.33333300  0.91690700  1.0
  O  O9  1  0.66666700  0.33333300  0.58309300  1.0