data_[Mn2In4I8]
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/m]
_cell_length_a [7.9403]
_cell_length_b [8.2598]
_cell_length_c [9.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mn(InI2)2]
_chemical_formula_sum '[Mn2 In4 I8]'
_cell_volume [594.8933]
_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  0.2717  0.7500  0.1970  1.0
  In  In1  2  0.2670  0.2500  0.4405  1.0
  In  In2  2  0.2690  0.2500  0.9446  1.0
  I  I3  4  0.4999  0.5028  0.7389  1.0
  I  I4  2  0.0686  0.7500  0.3768  1.0
  I  I5  2  0.0781  0.7500  0.9119  1.0
]