data_[Sc2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.1790]
_cell_length_b [8.5704]
_cell_length_c [7.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ScP2O7]
_chemical_formula_sum '[Sc2 P4 O14]'
_cell_volume [306.6994]
_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  2  0.2034  0.9920  0.7286  1.0
  P  P1  2  0.2640  0.7296  0.1136  1.0
  P  P2  2  0.3835  0.3092  0.5098  1.0
  O  O3  2  0.0329  0.6610  0.1829  1.0
  O  O4  2  0.1532  0.4264  0.4717  1.0
  O  O5  2  0.1669  0.8287  0.9342  1.0
  O  O6  2  0.2804  0.1435  0.5147  1.0
  O  O7  2  0.4277  0.8493  0.2774  1.0
  O  O8  2  0.4491  0.8322  0.6340  1.0
  O  O9  2  0.4544  0.5985  0.0917  1.0
]