data_[Mg2Ge10Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9906]
_cell_length_b [12.1195]
_cell_length_c [14.1491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgGe5Br12]
_chemical_formula_sum '[Mg2 Ge10 Br24]'
_cell_volume [1198.7512]
_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
  Ge  Ge1  4  0.0000  0.1668  0.5000  1
  Ge  Ge2  4  0.0000  0.3333  0.0000  1
  Ge  Ge3  2  0.0000  0.5000  0.5000  1
  Br  Br4  8  0.1592  0.1592  0.1097  1
  Br  Br5  8  0.1666  0.3334  0.3851  1
  Br  Br6  4  0.1664  0.0000  0.3854  1
  Br  Br7  4  0.1819  0.5000  0.1096  1
]