data_[K2Sc2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2]
_cell_length_a [6.9804]
_cell_length_b [8.7658]
_cell_length_c [4.6994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KScP2O7]
_chemical_formula_sum '[K2 Sc2 P4 O14]'
_cell_volume [284.2998]
_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
[
  K  K0  2  0.0000  0.2414  0.0000  1.0
  Sc  Sc1  2  0.0000  0.6349  0.0000  1.0
  P  P2  4  0.2029  0.9624  0.4238  1.0
  O  O3  4  0.1523  0.8088  0.2740  1.0
  O  O4  4  0.1597  0.4597  0.2926  1.0
  O  O5  4  0.2241  0.5792  0.7791  1.0
  O  O6  2  0.0000  0.0368  0.5000  1.0
]