data_[Mg24O24]
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 [R-3m]
_cell_length_a [2.9949]
_cell_length_b [2.9949]
_cell_length_c [59.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MgO]
_chemical_formula_sum '[Mg24 O24]'
_cell_volume [465.6534]
_cell_formula_units_Z [24]
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  6  0.0000  0.0000  0.0846  1.0
  Mg  Mg1  6  0.0000  0.0000  0.2077  1.0
  Mg  Mg2  6  0.0000  0.0000  0.3756  1.0
  Mg  Mg3  3  -0.0000  -0.0000  0.5000  1.0
  Mg  Mg4  3  0.0000  0.0000  0.0000  1.0
  O  O5  6  0.0000  0.0000  0.1461  1.0
  O  O6  6  0.0000  0.0000  0.2692  1.0
  O  O7  6  0.0000  0.0000  0.3129  1.0
  O  O8  6  0.0000  0.0000  0.4384  1.0
]