data_[Mn2In4Br6Cl2]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9768]
_cell_length_b [5.3364]
_cell_length_c [16.6573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [MnIn2Br3Cl]
_chemical_formula_sum '[Mn2 In4 Br6 Cl2]'
_cell_volume [442.3912]
_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  0.0000  0.0000  0.3567  1
  Br  Br2  4  0.0000  0.0000  0.1622  1
  Br  Br3  2  0.0000  0.5000  0.0000  1
  Cl  Cl4  2  0.0000  0.5000  0.5000  1
]