data_[Na2Mg28Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4476]
_cell_length_b [6.3394]
_cell_length_c [10.9494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaMg14Si]
_chemical_formula_sum '[Na2 Mg28 Si2]'
_cell_volume [725.1931]
_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  0.5000  0.0000  0.6669  1
  Mg  Mg1  8  0.2512  0.2465  0.0839  1
  Mg  Mg2  4  0.0000  0.2493  0.4168  1
  Mg  Mg3  4  0.2461  0.0000  0.8345  1
  Mg  Mg4  4  0.2539  0.0000  0.3321  1
  Mg  Mg5  4  0.5000  0.2482  0.9164  1
  Mg  Mg6  2  0.0000  0.0000  0.1667  1
  Mg  Mg7  2  0.0000  0.0000  0.6664  1
  Si  Si8  2  0.5000  0.0000  0.1649  1
]