data_[Mn3In6I18]
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 [R3]
_cell_length_a [7.4499]
_cell_length_b [7.4499]
_cell_length_c [24.9294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Mn(InI3)2]
_chemical_formula_sum '[Mn3 In6 I18]'
_cell_volume [1198.2462]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3516  1
  In  In1  3  0.0000  0.0000  0.5201  1
  In  In2  3  0.0000  0.0000  0.6856  1
  I  I3  9  0.0053  0.6510  0.9510  1
  I  I4  9  0.0061  0.3528  0.0852  1
]