data_[Mn8P8O36]
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 [Pnma]
_cell_length_a [13.8381]
_cell_length_b [6.2169]
_cell_length_c [7.6628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mn2P2O9]
_chemical_formula_sum '[Mn8 P8 O36]'
_cell_volume [659.2298]
_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
[
  Mn  Mn0  4  0.0000  0.0000  0.0000  1
  Mn  Mn1  4  0.1250  0.7500  0.3540  1
  P  P2  4  0.0635  0.2500  0.3545  1
  P  P3  4  0.1896  0.2500  0.8964  1
  O  O4  8  0.1263  0.0454  0.9076  1
  O  O5  8  0.1289  0.0541  0.3556  1
  O  O6  4  0.0141  0.2500  0.1623  1
  O  O7  4  0.0145  0.7500  0.5098  1
  O  O8  4  0.0470  0.7500  0.1377  1
  O  O9  4  0.2259  0.7500  0.5328  1
  O  O10  4  0.2473  0.7500  0.2261  1
]