# generated using pymatgen
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61430700
_cell_length_b   5.18689100
_cell_length_c   12.37572903
_cell_angle_alpha   82.56841319
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg6 Si6'
_cell_volume   230.05913030
_cell_formula_units_Z   6
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  0.75000000  0.25534400  0.05480900  1.0
  Mg  Mg1  1  0.75000000  0.42709400  0.38706700  1.0
  Mg  Mg2  1  0.25000000  0.57290600  0.61293300  1.0
  Mg  Mg3  1  0.75000000  0.03292200  0.72084000  1.0
  Mg  Mg4  1  0.25000000  0.96707800  0.27916000  1.0
  Mg  Mg5  1  0.25000000  0.74465600  0.94519100  1.0
  Si  Si6  1  0.25000000  0.26015300  0.87444700  1.0
  Si  Si7  1  0.25000000  0.10616300  0.53808400  1.0
  Si  Si8  1  0.25000000  0.48336400  0.20733000  1.0
  Si  Si9  1  0.75000000  0.73984700  0.12555300  1.0
  Si  Si10  1  0.75000000  0.51663600  0.79267000  1.0
  Si  Si11  1  0.75000000  0.89383700  0.46191600  1.0