data_[Mn2In6I12]
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 [7.7996]
_cell_length_b [8.5302]
_cell_length_c [13.8573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn(InI2)3]
_chemical_formula_sum '[Mn2 In6 I12]'
_cell_volume [765.6506]
_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
  In  In1  4  0.2926  0.1037  0.7496  1
  In  In2  2  0.5000  0.0000  0.5000  1
  I  I3  4  0.1257  0.0191  0.2369  1
  I  I4  4  0.2206  0.7059  0.0500  1
  I  I5  4  0.3546  0.1758  0.0495  1
]