data_[Li4Cr4P4H8O20]
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 [P2_1/c]
_cell_length_a [9.8669]
_cell_length_b [7.2933]
_cell_length_c [6.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCrPH2O5]
_chemical_formula_sum '[Li4 Cr4 P4 H8 O20]'
_cell_volume [434.7219]
_cell_formula_units_Z [4]
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  0.3506  0.5597  0.5788  1
  Cr  Cr1  4  0.0127  0.6944  0.2916  1
  P  P2  4  0.2018  0.0284  0.4960  1
  H  H3  4  0.4156  0.2330  0.3556  1
  H  H4  4  0.4420  0.1041  0.6899  1
  O  O5  4  0.0921  0.5449  0.8082  1
  O  O6  4  0.1534  0.2258  0.5465  1
  O  O7  4  0.1976  0.6031  0.1976  1
  O  O8  4  0.3417  0.0292  0.4044  1
  O  O9  4  0.4599  0.1442  0.8447  1
]