data_[Cs8Li4Mg4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3522]
_cell_length_b [21.0884]
_cell_length_c [14.5328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiMgBr5]
_chemical_formula_sum '[Cs8 Li4 Mg4 Br20]'
_cell_volume [1333.8215]
_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
[
  Cs  Cs0  4  0.0000  0.1185  0.6904  1.0
  Cs  Cs1  4  0.0000  0.1267  0.3058  1.0
  Li  Li2  4  0.0000  0.4220  0.4411  1.0
  Mg  Mg3  4  0.0000  0.2088  0.0184  1.0
  Br  Br4  4  0.0000  0.0835  0.0347  1.0
  Br  Br5  4  0.0000  0.2866  0.6410  1.0
  Br  Br6  4  0.0000  0.3043  0.3882  1.0
  Br  Br7  4  0.0000  0.3308  0.0000  1.0
  Br  Br8  4  0.0000  0.4911  0.3043  1.0
]