data_[Na8Mg8S12O48]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2948]
_cell_length_b [8.7241]
_cell_length_c [9.0449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Mg2(SO4)3]
_chemical_formula_sum '[Na8 Mg8 S12 O48]'
_cell_volume [1000.3932]
_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
[
  Na  Na0  4  0.0000  0.3863  0.2500  1
  Na  Na1  4  0.2500  0.2500  0.5000  1
  Mg  Mg2  8  0.1035  0.2444  0.0512  1
  S  S3  8  0.1461  0.3951  0.7473  1
  S  S4  4  0.0000  0.0427  0.2500  1
  O  O5  8  0.0522  0.3305  0.5836  1
  O  O6  8  0.0666  0.0505  0.9099  1
  O  O7  8  0.0720  0.1459  0.2316  1
  O  O8  8  0.1415  0.3706  0.9046  1
  O  O9  8  0.1471  0.4336  0.2299  1
  O  O10  8  0.2407  0.3265  0.7688  1
]