data_[Cs6Na48Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [12.4385]
_cell_length_b [12.4385]
_cell_length_c [18.3431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2Na16Mg]
_chemical_formula_sum '[Cs6 Na48 Mg3]'
_cell_volume [2457.7664]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3452  1
  Cs  Cs1  3  0.0000  0.0000  0.6597  1
  Na  Na2  18  0.0525  0.3851  0.6657  1
  Na  Na3  9  0.0082  0.5041  0.8490  1
  Na  Na4  9  0.0093  0.5046  0.4999  1
  Na  Na5  9  0.1751  0.3502  0.4847  1
  Na  Na6  3  0.0000  0.0000  0.0923  1
  Mg  Mg7  3  0.0000  0.0000  0.9079  1
]