# generated using pymatgen
data_Sc(PO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64985523
_cell_length_b   9.64985523
_cell_length_c   9.64985523
_cell_angle_alpha   122.97814872
_cell_angle_beta   122.97814872
_cell_angle_gamma   84.91472613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(PO)2
_chemical_formula_sum   'Sc4 P8 O8'
_cell_volume   604.19896457
_cell_formula_units_Z   4
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  0.87500000  0.12500000  0.75000000  1.0
  Sc  Sc1  1  0.37500000  0.12500000  0.25000000  1.0
  Sc  Sc2  1  0.87500000  0.62500000  0.75000000  1.0
  Sc  Sc3  1  0.87500000  0.12500000  0.25000000  1.0
  P  P4  1  0.66255200  0.30900500  0.35354700  1.0
  P  P5  1  0.95545900  0.30900500  0.64645300  1.0
  P  P6  1  0.05900500  0.20545900  0.14645300  1.0
  P  P7  1  0.79454100  0.94099500  0.85354700  1.0
  P  P8  1  0.08744800  0.94099500  0.14645300  1.0
  P  P9  1  0.05900500  0.91255200  0.85354700  1.0
  P  P10  1  0.69099500  0.04454100  0.35354700  1.0
  P  P11  1  0.69099500  0.33744800  0.64645300  1.0
  O  O12  1  0.46004400  0.26463400  0.19541000  1.0
  O  O13  1  0.06922300  0.26463400  0.80459000  1.0
  O  O14  1  0.01463400  0.31922300  0.30459000  1.0
  O  O15  1  0.68077700  0.98536600  0.69541000  1.0
  O  O16  1  0.28995600  0.98536600  0.30459000  1.0
  O  O17  1  0.01463400  0.71004400  0.69541000  1.0
  O  O18  1  0.73536600  0.93077700  0.19541000  1.0
  O  O19  1  0.73536600  0.53995600  0.80459000  1.0