data_[Li4Sc2P2C2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0228]
_cell_length_b [6.5775]
_cell_length_c [8.6039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2ScPCO7]
_chemical_formula_sum '[Li4 Sc2 P2 C2 O14]'
_cell_volume [284.2087]
_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
[
  Li  Li0  4  0.2248  0.0023  0.7811  1
  Sc  Sc1  2  0.2250  0.2500  0.3503  1
  P  P2  2  0.2864  0.7500  0.4201  1
  C  C3  2  0.2631  0.2500  0.0522  1
  O  O4  4  0.1819  0.5603  0.3344  1
  O  O5  2  0.0299  0.2500  0.1179  1
  O  O6  2  0.1910  0.7500  0.5931  1
  O  O7  2  0.2936  0.2500  0.9056  1
  O  O8  2  0.4031  0.2500  0.5728  1
  O  O9  2  0.4682  0.2500  0.1510  1
]