# generated using pymatgen
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58975800
_cell_length_b   6.13083004
_cell_length_c   13.72051718
_cell_angle_alpha   100.25959675
_cell_angle_beta   90.53800001
_cell_angle_gamma   99.96095737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg12 Si12'
_cell_volume   455.31537531
_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  0.29585700  0.10634400  0.02815300  1.0
  Mg  Mg1  1  0.15673300  0.19485600  0.32769900  1.0
  Mg  Mg2  1  0.99952500  0.74491400  0.66748200  1.0
  Mg  Mg3  1  0.31517700  0.61077700  0.00464300  1.0
  Mg  Mg4  1  0.13687100  0.68884100  0.35491400  1.0
  Mg  Mg5  1  0.48286400  0.20656900  0.67979500  1.0
  Mg  Mg6  1  0.83178000  0.81157200  0.16929300  1.0
  Mg  Mg7  1  0.69491100  0.89655500  0.47216800  1.0
  Mg  Mg8  1  0.99765900  0.25540700  0.83241500  1.0
  Mg  Mg9  1  0.85269300  0.31766500  0.14349400  1.0
  Mg  Mg10  1  0.67859400  0.38985200  0.49608300  1.0
  Mg  Mg11  1  0.51656500  0.74690100  0.81852500  1.0
  Si  Si12  1  0.76978400  0.96562200  0.98822500  1.0
  Si  Si13  1  0.65590000  0.11555000  0.30737900  1.0
  Si  Si14  1  0.50361400  0.70219300  0.62364200  1.0
  Si  Si15  1  0.81023900  0.55538500  0.97881100  1.0
  Si  Si16  1  0.64588300  0.51601300  0.31428400  1.0
  Si  Si17  1  0.95996700  0.20892700  0.62679200  1.0
  Si  Si18  1  0.34601400  0.48815100  0.18582300  1.0
  Si  Si19  1  0.18585600  0.45279600  0.51891200  1.0
  Si  Si20  1  0.49325500  0.29645600  0.87769100  1.0
  Si  Si21  1  0.33356900  0.88765100  0.19190400  1.0
  Si  Si22  1  0.22389700  0.04505700  0.50658900  1.0
  Si  Si23  1  0.04288400  0.79598400  0.87295300  1.0