data_[Cs12Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [10.0366]
_cell_length_b [29.1019]
_cell_length_c [5.1432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CsMg]
_chemical_formula_sum '[Cs12 Mg12]'
_cell_volume [1502.2589]
_cell_formula_units_Z [12]
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  0.0562  0.6878  0.2500  1
  Cs  Cs1  4  0.1664  0.0519  0.2500  1
  Cs  Cs2  4  0.4222  0.6035  0.2500  1
  Mg  Mg3  4  0.2904  0.1682  0.7500  1
  Mg  Mg4  4  0.3384  0.2208  0.2500  1
  Mg  Mg5  4  0.4175  0.7188  0.7500  1
]