data_[Li8Cr8P8H16O40]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [17.2884]
_cell_length_b [5.0322]
_cell_length_c [10.4050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [LiCrPH2O5]
_chemical_formula_sum '[Li8 Cr8 P8 H16 O40]'
_cell_volume [905.2203]
_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  4  0.0052  0.4654  0.6744  1
  Li  Li1  4  0.2459  0.9112  0.3981  1
  Cr  Cr2  4  0.0586  0.8765  0.9248  1
  Cr  Cr3  4  0.1910  0.5603  0.1464  1
  P  P4  4  0.0911  0.0302  0.2327  1
  P  P5  4  0.1594  0.4065  0.8394  1
  H  H6  4  0.0547  0.6336  0.4498  1
  H  H7  4  0.1187  0.6331  0.5536  1
  H  H8  4  0.1290  0.0850  0.5010  1
  H  H9  4  0.1896  0.1373  0.6097  1
  O  O10  4  0.0477  0.9940  0.3619  1
  O  O11  4  0.0483  0.8726  0.1243  1
  O  O12  4  0.0731  0.5322  0.5244  1
  O  O13  4  0.0759  0.5248  0.8233  1
  O  O14  4  0.0935  0.3266  0.1944  1
  O  O15  4  0.1561  0.1111  0.8797  1
  O  O16  4  0.1739  0.9077  0.2493  1
  O  O17  4  0.1758  0.0097  0.5407  1
  O  O18  4  0.2026  0.5669  0.9464  1
  O  O19  4  0.2026  0.4333  0.7100  1
]