[CIF]
data_Mg2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65672666
_cell_length_b   5.65672666
_cell_length_c   18.45252446
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Si
_chemical_formula_sum   'Mg16 Si8'
_cell_volume   511.34829075
_cell_formula_units_Z   8
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  -0.00000000  3.26591266  11.54436744  1
  Mg  Mg1  1  2.82836333  1.63295633  6.90815702  1
  Mg  Mg2  1  2.82836333  1.63295633  2.31810521  1
  Mg  Mg3  1  -0.00000000  3.26591266  16.13441925  1
  Mg  Mg4  1  1.41418167  2.44943449  9.22626223  1
  Mg  Mg5  1  2.82836333  0.00000000  9.22626223  1
  Mg  Mg6  1  -1.41418167  2.44943449  9.22626223  1
  Mg  Mg7  1  1.41418167  2.44943449  0.00000000  1
  Mg  Mg8  1  2.82836333  0.00000000  0.00000000  1
  Mg  Mg9  1  -1.41418167  2.44943449  0.00000000  1
  Mg  Mg10  1  -1.44967095  4.10288057  13.83939335  1
  Mg  Mg11  1  0.00000000  1.59197683  13.83939335  1
  Mg  Mg12  1  1.44967095  4.10288057  13.83939335  1
  Mg  Mg13  1  4.27803428  0.79598842  4.61313111  1
  Mg  Mg14  1  2.82836333  3.30689216  4.61313111  1
  Mg  Mg15  1  1.37869238  0.79598842  4.61313111  1
  Si  Si16  1  0.00000000  0.00000000  11.27438985  1
  Si  Si17  1  0.00000000  0.00000000  7.17813461  1
  Si  Si18  1  0.00000000  0.00000000  2.04812762  1
  Si  Si19  1  0.00000000  0.00000000  16.40439684  1
  Si  Si20  1  -0.00000000  3.26591266  5.84407688  1
  Si  Si21  1  2.82836333  1.63295633  12.60844758  1
  Si  Si22  1  2.82836333  1.63295633  15.07033911  1
  Si  Si23  1  -0.00000000  3.26591266  3.38218535  1
[/CIF]
