data_[Li8Mn8P8H16O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  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 [17.1423]
_cell_length_b [5.1401]
_cell_length_c [10.2138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [LiMnPH2O5]
_chemical_formula_sum '[Li8 Mn8 P8 H16 O40]'
_cell_volume [899.9620]
_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  0.0542  0.9019  0.9200  1
  Li  Li1  4  0.1934  0.5285  0.1495  1
  Mn  Mn2  4  0.0002  0.5346  0.1829  1
  Mn  Mn3  4  0.2489  0.9076  0.8912  1
  P  P4  4  0.0925  0.0104  0.2261  1
  P  P5  4  0.1576  0.4104  0.8453  1
  H  H6  4  0.0566  0.6599  0.4494  1
  H  H7  4  0.1232  0.6304  0.5539  1
  H  H8  4  0.1242  0.0909  0.5036  1
  H  H9  4  0.1887  0.1655  0.6112  1
  O  O10  4  0.0467  0.9577  0.3548  1
  O  O11  4  0.0475  0.8757  0.1116  1
  O  O12  4  0.0758  0.5436  0.8333  1
  O  O13  4  0.0760  0.5431  0.5203  1
  O  O14  4  0.0997  0.3072  0.1982  1
  O  O15  4  0.1469  0.1201  0.8853  1
  O  O16  4  0.1734  0.0298  0.5441  1
  O  O17  4  0.1757  0.8868  0.2347  1
  O  O18  4  0.2030  0.4230  0.7143  1
  O  O19  4  0.2040  0.5560  0.9548  1
]