data_[Mg4Be8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5799]
_cell_length_b [13.8772]
_cell_length_c [6.3166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg(BeBr3)2]
_chemical_formula_sum '[Mg4 Be8 Br24]'
_cell_volume [1081.2774]
_cell_formula_units_Z [4]
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  4  0.0000  0.2195  0.2500  1
  Be  Be1  8  0.2251  0.4241  0.3291  1
  Br  Br2  8  0.1053  0.1091  0.5930  1
  Br  Br3  8  0.1214  0.3094  0.1041  1
  Br  Br4  8  0.1864  0.4368  0.6347  1
]