data_[Mg60Si30O120]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7728]
_cell_length_b [5.7728]
_cell_length_c [71.3411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg2SiO4]
_chemical_formula_sum '[Mg60 Si30 O120]'
_cell_volume [2058.9412]
_cell_formula_units_Z [30]
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  9  0.0002  0.5001  0.4251  1
  Mg  Mg1  9  0.1669  0.3337  0.3594  1
  Mg  Mg2  9  0.1670  0.3339  0.1579  1
  Mg  Mg3  9  0.1689  0.3378  0.5573  1
  Mg  Mg4  9  0.1701  0.8299  0.9581  1
  Mg  Mg5  3  0.0000  0.0000  0.1249  1
  Mg  Mg6  3  0.0000  0.0000  0.2507  1
  Mg  Mg7  3  0.0000  0.0000  0.5245  1
  Mg  Mg8  3  0.0000  0.0000  0.6531  1
  Mg  Mg9  3  0.0000  0.0000  0.7251  1
  Si  Si10  3  0.0000  0.0000  0.0512  1
  Si  Si11  3  0.0000  0.0000  0.1996  1
  Si  Si12  3  0.0000  0.0000  0.3220  1
  Si  Si13  3  0.0000  0.0000  0.4004  1
  Si  Si14  3  0.0000  0.0000  0.4500  1
  Si  Si15  3  0.0000  0.0000  0.5982  1
  Si  Si16  3  0.0000  0.0000  0.7999  1
  Si  Si17  3  0.0000  0.0000  0.8492  1
  Si  Si18  3  0.0000  0.0000  0.9213  1
  Si  Si19  3  0.0000  0.0000  0.9988  1
  O  O20  9  0.0046  0.5023  0.6734  1
  O  O21  9  0.0060  0.5030  0.2729  1
  O  O22  9  0.0163  0.5081  0.4746  1
  O  O23  9  0.0165  0.5082  0.0750  1
  O  O24  9  0.0187  0.5093  0.8746  1
  O  O25  9  0.0374  0.5187  0.9768  1
  O  O26  9  0.0431  0.5216  0.5756  1
  O  O27  9  0.1738  0.3475  0.5084  1
  O  O28  9  0.1747  0.3494  0.1090  1
  O  O29  9  0.1774  0.3548  0.7098  1
  O  O30  3  0.0000  0.0000  0.0749  1
  O  O31  3  0.0000  0.0000  0.1762  1
  O  O32  3  0.0000  0.0000  0.2769  1
  O  O33  3  0.0000  0.0000  0.3767  1
  O  O34  3  0.0000  0.0000  0.4737  1
  O  O35  3  0.0000  0.0000  0.5750  1
  O  O36  3  0.0000  0.0000  0.6796  1
  O  O37  3  0.0000  0.0000  0.7764  1
  O  O38  3  0.0000  0.0000  0.8725  1
  O  O39  3  0.0000  0.0000  0.9754  1
]