data_[Mg10Si10]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6298]
_cell_length_b [15.9465]
_cell_length_c [5.0066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgSi]
_chemical_formula_sum '[Mg10 Si10]'
_cell_volume [369.6325]
_cell_formula_units_Z [10]
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  4  0.0000  0.1792  0.2268  1
  Mg  Mg1  4  0.5000  0.1889  0.7962  1
  Mg  Mg2  2  0.5000  0.0000  0.8870  1
  Si  Si3  4  0.0000  0.0789  0.7102  1
  Si  Si4  4  0.5000  0.0782  0.3753  1
  Si  Si5  2  0.0000  0.0000  0.2452  1
]