data_[Mg2Ga4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9730]
_cell_length_b [10.9306]
_cell_length_c [6.4326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(GaBr4)2]
_chemical_formula_sum '[Mg2 Ga4 Br16]'
_cell_volume [840.0429]
_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  1.0
  Ga  Ga1  4  0.2060  0.0000  0.6387  1.0
  Br  Br2  8  0.1013  0.1682  0.7729  1.0
  Br  Br3  4  0.1077  0.5000  0.2461  1.0
  Br  Br4  4  0.1960  0.0000  0.2668  1.0
]