data_[Mn2In2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5941]
_cell_length_b [7.0550]
_cell_length_c [8.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnInI4]
_chemical_formula_sum '[Mn2 In2 I8]'
_cell_volume [459.6461]
_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
  In  In1  2  0.5000  0.0000  0.5000  1.0
  I  I2  4  0.1496  0.2351  0.3083  1.0
  I  I3  4  0.3161  0.7088  0.6414  1.0
]