data_[Mg40Sn24O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.2447]
_cell_length_b [12.2447]
_cell_length_c [12.2447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Mg5(SnO4)3]
_chemical_formula_sum '[Mg40 Sn24 O96]'
_cell_volume [1835.8760]
_cell_formula_units_Z [8]
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
[
  Mg  Mg0  24  0.0000  0.2500  0.3750  1
  Mg  Mg1  16  0.0000  0.0000  0.0000  1
  Sn  Sn2  24  0.0000  0.2500  0.1250  1
  O  O3  96  0.0232  0.0703  0.6541  1
]