data_[Mn2H8I4O4]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7163]
_cell_length_b [9.4858]
_cell_length_c [4.2683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnH4(IO)2]
_chemical_formula_sum '[Mn2 H8 I4 O4]'
_cell_volume [343.5233]
_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  0.0000  0.0000  1.0
  H  H1  8  0.0790  0.2897  0.1357  1.0
  I  I2  4  0.2447  0.0000  0.6039  1.0
  O  O3  4  0.0000  0.2280  0.0000  1.0
]