data_[Cs2Mg28Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.6319]
_cell_length_b [7.0124]
_cell_length_c [10.8174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsMg14Al]
_chemical_formula_sum '[Cs2 Mg28 Al2]'
_cell_volume [806.4939]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.2744  1
  Mg  Mg1  8  0.2399  0.2481  0.9174  1
  Mg  Mg2  4  0.0000  0.2138  0.6112  1
  Mg  Mg3  4  0.2058  0.0000  0.1541  1
  Mg  Mg4  4  0.2634  0.0000  0.6725  1
  Mg  Mg5  4  0.5000  0.2127  0.5491  1
  Mg  Mg6  2  0.0000  0.0000  0.3540  1
  Mg  Mg7  2  0.0000  0.0000  0.8760  1
  Al  Al8  2  0.5000  0.0000  0.8522  1
]