data_[Mn4I10Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.5056]
_cell_length_b [12.6266]
_cell_length_c [7.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn2I5Cl]
_chemical_formula_sum '[Mn4 I10 Cl2]'
_cell_volume [597.3451]
_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  0.2466  0.0000  0.0081  1
  I  I1  4  0.0000  0.1532  0.8447  1
  I  I2  4  0.5000  0.1500  0.1673  1
  I  I3  2  0.5000  0.0000  0.7073  1
  Cl  Cl4  2  0.0000  0.0000  0.2525  1
]