# generated using pymatgen
data_ScPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48776415
_cell_length_b   5.48776420
_cell_length_c   5.48776493
_cell_angle_alpha   106.20393287
_cell_angle_beta   106.20392413
_cell_angle_gamma   116.22427760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPO4
_chemical_formula_sum   'Sc2 P2 O8'
_cell_volume   125.88204687
_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
  Sc  Sc0  1  0.12500000  0.87500000  0.25000000  1.0
  Sc  Sc1  1  0.87500000  0.12500000  0.75000000  1.0
  P  P2  1  0.37500000  0.62500000  0.75000000  1.0
  P  P3  1  0.62500000  0.37500000  0.25000000  1.0
  O  O4  1  0.79280370  0.72279572  0.42999102  1.0
  O  O5  1  0.36281169  0.79280370  0.57000898  1.0
  O  O6  1  0.72279572  0.79280370  0.92999102  1.0
  O  O7  1  0.79280370  0.36281169  0.07000898  1.0
  O  O8  1  0.63718831  0.20719630  0.42999102  1.0
  O  O9  1  0.20719630  0.27720428  0.57000898  1.0
  O  O10  1  0.20719630  0.63718831  0.92999102  1.0
  O  O11  1  0.27720428  0.20719630  0.07000898  1.0