data_[Mg2In4I4Br4]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0850]
_cell_length_b [4.3680]
_cell_length_c [8.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgIn2(IBr)2]
_chemical_formula_sum '[Mg2 In4 I4 Br4]'
_cell_volume [511.0705]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.1412  0.0000  0.7055  1
  I  I2  4  0.0345  0.5000  0.2683  1
  Br  Br3  4  0.1894  0.0000  0.1154  1
]