data_[Mn2In2Br6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9081]
_cell_length_b [4.0146]
_cell_length_c [9.2488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnInBr3]
_chemical_formula_sum '[Mn2 In2 Br6]'
_cell_volume [323.7758]
_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  0.1663  0.7500  0.6341  1.0
  In  In1  2  0.3797  0.2500  0.1879  1.0
  Br  Br2  2  0.0372  0.7500  0.3372  1.0
  Br  Br3  2  0.2946  0.7500  0.9182  1.0
  Br  Br4  2  0.3529  0.2500  0.5862  1.0
]