data_[Mg2Au4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3647]
_cell_length_b [3.5893]
_cell_length_c [6.8469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAu2Br]
_chemical_formula_sum '[Mg2 Au4 Br2]'
_cell_volume [225.1030]
_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  0.2772  0.5000  0.1779  1
  Au  Au1  2  0.0591  0.0000  0.9662  1
  Au  Au2  2  0.3320  0.0000  0.8995  1
  Br  Br3  2  0.3317  0.0000  0.4564  1
]