data_[Li8Mn8P16H16O64]
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 [Cc]
_cell_length_a [10.2775]
_cell_length_b [15.9251]
_cell_length_c [8.8438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiMnP2(HO4)2]
_chemical_formula_sum '[Li8 Mn8 P16 H16 O64]'
_cell_volume [1201.8968]
_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  0.4035  0.1935  0.3094  1
  Li  Li1  4  0.4543  0.3292  0.8479  1
  Mn  Mn2  4  0.0033  0.1393  0.0090  1
  Mn  Mn3  4  0.0257  0.3891  0.5368  1
  P  P4  4  0.1244  0.3089  0.2534  1
  P  P5  4  0.1880  0.7694  0.3126  1
  P  P6  4  0.3297  0.0230  0.1865  1
  P  P7  4  0.3443  0.4938  0.1605  1
  H  H8  4  0.0901  0.4214  0.0921  1
  H  H9  4  0.1313  0.0068  0.4177  1
  H  H10  4  0.2031  0.1168  0.6892  1
  H  H11  4  0.2162  0.5674  0.3989  1
  O  O12  4  0.0388  0.3632  0.0722  1
  O  O13  4  0.0446  0.2216  0.1975  1
  O  O14  4  0.0780  0.2277  0.8767  1
  O  O15  4  0.0996  0.3480  0.3913  1
  O  O16  4  0.1294  0.8350  0.1461  1
  O  O17  4  0.1843  0.4964  0.6338  1
  O  O18  4  0.1873  0.3185  0.7338  1
  O  O19  4  0.2278  0.0978  0.1750  1
  O  O20  4  0.2351  0.9673  0.0090  1
  O  O21  4  0.3007  0.3006  0.3290  1
  O  O22  4  0.3239  0.4318  0.0087  1
  O  O23  4  0.3591  0.7901  0.4597  1
  O  O24  4  0.3670  0.0400  0.8386  1
  O  O25  4  0.4186  0.5767  0.1608  1
  O  O26  4  0.4685  0.4514  0.3464  1
  O  O27  4  0.4803  0.0609  0.2147  1
]