data_[Mg6Si8]
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 [P-1]
_cell_length_a [5.1405]
_cell_length_b [7.0335]
_cell_length_c [8.0729]
_cell_angle_alpha [110.2612]
_cell_angle_beta [92.2165]
_cell_angle_gamma [106.6139]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg3Si4]
_chemical_formula_sum '[Mg6 Si8]'
_cell_volume [259.2936]
_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  2  0.1956  0.3975  0.3805  1
  Mg  Mg1  2  0.2955  0.1327  0.9824  1
  Mg  Mg2  2  0.3016  0.1089  0.5955  1
  Si  Si3  2  0.1958  0.9221  0.2349  1
  Si  Si4  2  0.2417  0.4814  0.8066  1
  Si  Si5  2  0.2534  0.5704  0.1205  1
  Si  Si6  2  0.3700  0.7653  0.6862  1
]