data_[Mn2Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.9080]
_cell_length_b [18.8078]
_cell_length_c [4.9056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MnSeO4]
_chemical_formula_sum '[Mn2 Se2 O8]'
_cell_volume [545.0977]
_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  0.5164  0.5920  1
  Se  Se1  2  0.0000  0.4040  0.0406  1
  O  O2  4  0.2075  0.4585  0.8813  1
  O  O3  2  0.0000  0.4258  0.3734  1
  O  O4  2  0.0000  0.6012  0.7313  1
]