# generated using pymatgen
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46788200
_cell_length_b   5.40411842
_cell_length_c   10.29692196
_cell_angle_alpha   99.08381027
_cell_angle_beta   94.81634874
_cell_angle_gamma   109.66264258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg6 Si6'
_cell_volume   228.65958940
_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  0.19814400  0.80342700  0.07875000  1.0
  Mg  Mg1  1  0.43057200  0.05554500  0.73788800  1.0
  Mg  Mg2  1  0.02077700  0.39335700  0.57670000  1.0
  Mg  Mg3  1  0.29270200  0.91326100  0.41103900  1.0
  Mg  Mg4  1  0.73594700  0.67463500  0.81851700  1.0
  Mg  Mg5  1  0.90137000  0.26704100  0.26187000  1.0
  Si  Si6  1  0.67231400  0.70611800  0.23246900  1.0
  Si  Si7  1  0.12311800  0.40286100  0.84986300  1.0
  Si  Si8  1  0.85055900  0.12611200  0.99722100  1.0
  Si  Si9  1  0.45672600  0.34871100  0.03868200  1.0
  Si  Si10  1  0.50473900  0.46349900  0.41110200  1.0
  Si  Si11  1  0.81285400  0.84555300  0.58597000  1.0