data_[Mg14Si8]
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 [P1]
_cell_length_a [5.3689]
_cell_length_b [5.9518]
_cell_length_c [13.9504]
_cell_angle_alpha [101.8219]
_cell_angle_beta [92.9797]
_cell_angle_gamma [91.4399]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg7Si4]
_chemical_formula_sum '[Mg14 Si8]'
_cell_volume [435.4406]
_cell_formula_units_Z [2]
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  1  0.0032  0.7569  0.4920  1
  Mg  Mg1  1  0.0076  0.5221  0.9965  1
  Mg  Mg2  1  0.2001  0.5321  0.6671  1
  Mg  Mg3  1  0.2649  0.6401  0.2829  1
  Mg  Mg4  1  0.3582  0.8614  0.8682  1
  Mg  Mg5  1  0.3620  0.1414  0.2855  1
  Mg  Mg6  1  0.4125  0.2328  0.0748  1
  Mg  Mg7  1  0.4813  0.4937  0.4735  1
  Mg  Mg8  1  0.4818  0.3748  0.8728  1
  Mg  Mg9  1  0.4938  0.9911  0.4784  1
  Mg  Mg10  1  0.5173  0.7416  0.0976  1
  Mg  Mg11  1  0.8628  0.0126  0.9764  1
  Mg  Mg12  1  0.9467  0.1481  0.7777  1
  Mg  Mg13  1  0.9810  0.2378  0.4530  1
  Si  Si14  1  0.0095  0.8905  0.1570  1
  Si  Si15  1  0.3826  0.0519  0.6798  1
  Si  Si16  1  0.6989  0.3280  0.6318  1
  Si  Si17  1  0.7059  0.7555  0.6542  1
  Si  Si18  1  0.7569  0.4650  0.3102  1
  Si  Si19  1  0.7656  0.8661  0.3029  1
  Si  Si20  1  0.8614  0.6650  0.8137  1
  Si  Si21  1  0.9461  0.2989  0.1577  1
]