data_[Mn2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.2171]
_cell_length_b [4.6801]
_cell_length_c [4.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MnSO4]
_chemical_formula_sum '[Mn2 S2 O8]'
_cell_volume [135.9243]
_cell_formula_units_Z [2]
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  2  0.0000  0.6026  0.8071  1
  S  S1  2  0.0000  0.1656  0.2597  1
  O  O2  4  0.1905  0.3155  0.1305  1
  O  O3  2  0.0000  0.1952  0.5734  1
  O  O4  2  0.0000  0.8624  0.1806  1
]