data_[Mn4In6Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0583]
_cell_length_b [5.0583]
_cell_length_c [25.8174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Mn2In3Cl7]
_chemical_formula_sum '[Mn4 In6 Cl14]'
_cell_volume [660.5883]
_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  0.0000  0.0000  0.0998  1
  In  In1  4  0.0000  0.0000  0.3178  1
  In  In2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.0000  0.5000  0.0961  1
  Cl  Cl4  4  0.0000  0.0000  0.1952  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]