data_[Mg2In2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [9.1807]
_cell_length_b [3.9960]
_cell_length_c [9.3040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgInBr3]
_chemical_formula_sum '[Mg2 In2 Br6]'
_cell_volume [332.4078]
_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
[
  Mg  Mg0  2  0.1663  0.7500  0.6288  1.0
  In  In1  2  0.3900  0.2500  0.1861  1.0
  Br  Br2  2  0.0277  0.7500  0.3361  1.0
  Br  Br3  2  0.3018  0.7500  0.9155  1.0
  Br  Br4  2  0.3477  0.2500  0.5800  1.0
]