# generated using pymatgen
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41761600
_cell_length_b   5.89013176
_cell_length_c   14.02434244
_cell_angle_alpha   95.79913969
_cell_angle_beta   93.79743739
_cell_angle_gamma   90.78850029
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg12 Si12'
_cell_volume   444.16121709
_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  0.73129400  0.64253200  0.76214900  1.0
  Mg  Mg1  1  0.61254600  0.74062700  0.09665100  1.0
  Mg  Mg2  1  0.49068900  0.24377900  0.43496500  1.0
  Mg  Mg3  1  0.88067100  0.14796500  0.77375800  1.0
  Mg  Mg4  1  0.70283100  0.24277200  0.09492300  1.0
  Mg  Mg5  1  0.98563700  0.74100400  0.43220000  1.0
  Mg  Mg6  1  0.38745400  0.25937300  0.90334900  1.0
  Mg  Mg7  1  0.26870600  0.35746800  0.23785100  1.0
  Mg  Mg8  1  0.50931100  0.75622100  0.56503500  1.0
  Mg  Mg9  1  0.29716900  0.75722800  0.90507700  1.0
  Mg  Mg10  1  0.11932900  0.85203500  0.22624200  1.0
  Mg  Mg11  1  0.01436300  0.25899600  0.56780000  1.0
  Si  Si12  1  0.23911500  0.49495300  0.72984100  1.0
  Si  Si13  1  0.17335400  0.48833000  0.05760500  1.0
  Si  Si14  1  0.98164600  0.21650800  0.37256800  1.0
  Si  Si15  1  0.35105800  0.98937900  0.73025100  1.0
  Si  Si16  1  0.17646600  0.06549500  0.06010300  1.0
  Si  Si17  1  0.46919600  0.72361600  0.36844600  1.0
  Si  Si18  1  0.82353400  0.93450500  0.93989700  1.0
  Si  Si19  1  0.64894200  0.01062100  0.26974900  1.0
  Si  Si20  1  0.01835400  0.78349200  0.62743200  1.0
  Si  Si21  1  0.82664600  0.51167000  0.94239500  1.0
  Si  Si22  1  0.76088500  0.50504700  0.27015900  1.0
  Si  Si23  1  0.53080400  0.27638400  0.63155400  1.0