data_[Na2Sr16Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6130]
_cell_length_b [5.9823]
_cell_length_c [9.0343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(Sr4Mg)2]
_chemical_formula_sum '[Na2 Sr16 Mg4]'
_cell_volume [1042.3330]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Sr  Sr1  4  0.0330  0.0000  0.7575  1
  Sr  Sr2  4  0.1007  0.5000  0.4737  1
  Sr  Sr3  4  0.1762  0.5000  0.9444  1
  Sr  Sr4  4  0.1847  0.0000  0.2782  1
  Mg  Mg5  4  0.1913  0.0000  0.6831  1
]