data_[Mn8P16O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [9.4028]
_cell_length_b [7.9972]
_cell_length_c [13.1012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnP2O7]
_chemical_formula_sum '[Mn8 P16 O56]'
_cell_volume [926.1095]
_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
[
  Mn  Mn0  8  0.1456  0.2669  0.1434  1
  P  P1  8  0.1255  0.4588  0.9293  1
  P  P2  8  0.1664  0.0855  0.3638  1
  O  O3  8  0.0135  0.1060  0.3804  1
  O  O4  8  0.0183  0.4557  0.1455  1
  O  O5  8  0.0956  0.3060  0.9913  1
  O  O6  8  0.1815  0.0920  0.8234  1
  O  O7  8  0.2014  0.2277  0.2976  1
  O  O8  8  0.2072  0.4006  0.5175  1
  O  O9  8  0.2269  0.4145  0.8636  1
]