data_[Mg16O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.1989]
_cell_length_b [14.5496]
_cell_length_c [4.2162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [MgO]
_chemical_formula_sum '[Mg16 O16]'
_cell_volume [380.2652]
_cell_formula_units_Z [16]
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  8  0.1638  0.1900  0.0000  1.0
  Mg  Mg1  8  0.1663  0.4292  0.0000  1.0
  O  O2  8  0.1643  0.1902  0.5000  1.0
  O  O3  8  0.1708  0.4292  0.5000  1.0
]