data_[Cs4Sr4Mg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.4229]
_cell_length_b [9.4229]
_cell_length_c [9.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CsSrMg4]
_chemical_formula_sum '[Cs4 Sr4 Mg16]'
_cell_volume [836.6669]
_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  0.2500  0.2500  0.7500  1
  Sr  Sr1  4  0.0000  0.0000  0.0000  1
  Mg  Mg2  16  0.1265  0.1265  0.3735  1
]