# generated using pymatgen
data_ScP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40385900
_cell_length_b   5.10186100
_cell_length_c   7.23299691
_cell_angle_alpha   69.45747148
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScP2O7
_chemical_formula_sum   'Sc2 P4 O14'
_cell_volume   290.39733252
_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  0.00697300  0.20798000  0.27878400  1.0
  Sc  Sc1  1  0.50697300  0.79202000  0.72121600  1.0
  P  P2  1  0.78352100  0.79417000  0.07955200  1.0
  P  P3  1  0.67828200  0.40869800  0.46624500  1.0
  P  P4  1  0.17828200  0.59130200  0.53375500  1.0
  P  P5  1  0.28352100  0.20583000  0.92044800  1.0
  O  O6  1  0.83514200  0.04475900  0.13435300  1.0
  O  O7  1  0.19463200  0.12652800  0.11540800  1.0
  O  O8  1  0.92875100  0.60718300  0.08763300  1.0
  O  O9  1  0.65321900  0.61667300  0.24086000  1.0
  O  O10  1  0.16752900  0.41365200  0.40217300  1.0
  O  O11  1  0.54211900  0.19614800  0.51148100  1.0
  O  O12  1  0.83943200  0.26680100  0.47670800  1.0
  O  O13  1  0.33943200  0.73319900  0.52329200  1.0
  O  O14  1  0.04211900  0.80385200  0.48851900  1.0
  O  O15  1  0.66752900  0.58634800  0.59782700  1.0
  O  O16  1  0.15321900  0.38332700  0.75914000  1.0
  O  O17  1  0.42875100  0.39281700  0.91236700  1.0
  O  O18  1  0.69463200  0.87347200  0.88459200  1.0
  O  O19  1  0.33514200  0.95524100  0.86564700  1.0