# generated using pymatgen
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45331700
_cell_length_b   7.09748640
_cell_length_c   14.98736379
_cell_angle_alpha   96.99062322
_cell_angle_beta   96.08855329
_cell_angle_gamma   89.96395545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg12 Si12'
_cell_volume   467.50097246
_cell_formula_units_Z   12
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  0.37434000  0.06141000  0.00546200  1.0
  Mg  Mg1  1  0.13023800  0.39885300  0.34300700  1.0
  Mg  Mg2  1  0.68538000  0.97921300  0.67709900  1.0
  Mg  Mg3  1  0.37292100  0.56715600  0.00546600  1.0
  Mg  Mg4  1  0.18421000  0.90463800  0.36468800  1.0
  Mg  Mg5  1  0.66803400  0.48473000  0.67924600  1.0
  Mg  Mg6  1  0.88250400  0.85173400  0.15597100  1.0
  Mg  Mg7  1  0.69468000  0.68423500  0.49259100  1.0
  Mg  Mg8  1  0.23639500  0.27058100  0.82254000  1.0
  Mg  Mg9  1  0.82777100  0.34675900  0.13612700  1.0
  Mg  Mg10  1  0.69843400  0.18616900  0.49273000  1.0
  Mg  Mg11  1  0.21922400  0.76479100  0.81968800  1.0
  Si  Si12  1  0.86649100  0.80670700  0.96900600  1.0
  Si  Si13  1  0.66272600  0.07876600  0.31083100  1.0
  Si  Si14  1  0.14820300  0.71215000  0.63655500  1.0
  Si  Si15  1  0.86339600  0.30085600  0.95759900  1.0
  Si  Si16  1  0.66386400  0.70140800  0.31101900  1.0
  Si  Si17  1  0.14956000  0.23219500  0.63922900  1.0
  Si  Si18  1  0.34533600  0.55101300  0.18599900  1.0
  Si  Si19  1  0.22207100  0.44286500  0.52989200  1.0
  Si  Si20  1  0.73335700  0.01946900  0.86048000  1.0
  Si  Si21  1  0.34772800  0.16878800  0.18626000  1.0
  Si  Si22  1  0.21884500  0.94971400  0.54334600  1.0
  Si  Si23  1  0.73446000  0.53584000  0.86277900  1.0