data_[Mn4H4Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1485]
_cell_length_b [8.4517]
_cell_length_c [6.8183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnHSeO4]
_chemical_formula_sum '[Mn4 H4 Se4 O16]'
_cell_volume [375.4334]
_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
  H  H1  4  0.0000  0.0624  0.7500  1
  Se  Se2  4  0.0000  0.3311  0.2500  1
  O  O3  8  0.1008  0.2144  0.1164  1
  O  O4  8  0.1877  0.4417  0.4230  1
]