data_[Mg2Cd10Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9661]
_cell_length_b [12.0797]
_cell_length_c [13.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCd5Br12]
_chemical_formula_sum '[Mg2 Cd10 Br24]'
_cell_volume [1174.6500]
_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
  Cd  Cd1  4  0.0000  0.1667  0.5000  1
  Cd  Cd2  4  0.0000  0.3333  0.0000  1
  Cd  Cd3  2  0.0000  0.5000  0.5000  1
  Br  Br4  8  0.1610  0.1608  0.1105  1
  Br  Br5  8  0.1662  0.3333  0.3858  1
  Br  Br6  4  0.1663  0.0000  0.3859  1
  Br  Br7  4  0.1787  0.5000  0.1106  1
]