data_[Mn4In4I14]
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 [C2/m]
_cell_length_a [8.9580]
_cell_length_b [14.5343]
_cell_length_c [7.9846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2In2I7]
_chemical_formula_sum '[Mn4 In4 I14]'
_cell_volume [1028.9921]
_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  4  0.2217  0.5000  0.1202  1.0
  In  In1  4  0.0000  0.3093  0.5000  1.0
  I  I2  8  0.2218  0.1679  0.7423  1.0
  I  I3  4  0.0741  0.5000  0.7853  1.0
  I  I4  2  0.0000  0.0000  0.0000  1.0
]