data_[Li8Cr8P16O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6000]
_cell_length_b [13.3851]
_cell_length_c [10.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCrP2O7]
_chemical_formula_sum '[Li8 Cr8 P16 O56]'
_cell_volume [1205.6364]
_cell_formula_units_Z [8]
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  8  0.0002  0.2783  0.4993  1
  Cr  Cr1  8  0.1734  0.4998  0.0930  1
  P  P2  8  0.2126  0.1057  0.6411  1
  P  P3  8  0.2185  0.1087  0.1421  1
  O  O4  8  0.0995  0.1877  0.6184  1
  O  O5  8  0.1098  0.1931  0.1207  1
  O  O6  8  0.1245  0.0025  0.1187  1
  O  O7  8  0.1513  0.3979  0.9590  1
  O  O8  8  0.1563  0.3978  0.4593  1
  O  O9  8  0.2022  0.4001  0.7229  1
  O  O10  8  0.2090  0.4012  0.2232  1
]