# generated using pymatgen
data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71214700
_cell_length_b   5.94675770
_cell_length_c   13.76685429
_cell_angle_alpha   102.17101790
_cell_angle_beta   95.67046981
_cell_angle_gamma   91.00274410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg12 Si12'
_cell_volume   454.54128222
_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  0.23605300  0.13579600  0.97177900  1.0
  Mg  Mg1  1  0.15031500  0.73914000  0.63966300  1.0
  Mg  Mg2  1  0.79075500  0.36533100  0.29083000  1.0
  Mg  Mg3  1  0.70313300  0.39303600  0.93479600  1.0
  Mg  Mg4  1  0.63729400  0.02120600  0.61225900  1.0
  Mg  Mg5  1  0.32311000  0.64537200  0.29308500  1.0
  Mg  Mg6  1  0.69599300  0.85996200  0.86730000  1.0
  Mg  Mg7  1  0.63526200  0.48864200  0.53506600  1.0
  Mg  Mg8  1  0.30014500  0.09063500  0.19082100  1.0
  Mg  Mg9  1  0.20256400  0.58873400  0.88007600  1.0
  Mg  Mg10  1  0.13901500  0.20755400  0.58118000  1.0
  Mg  Mg11  1  0.76613200  0.83121300  0.22194400  1.0
  Si  Si12  1  0.98091200  0.78755700  0.04166100  1.0
  Si  Si13  1  0.86927600  0.47042600  0.71969600  1.0
  Si  Si14  1  0.10640100  0.06308900  0.36998700  1.0
  Si  Si15  1  0.38227900  0.59262800  0.08380100  1.0
  Si  Si16  1  0.46430100  0.47324000  0.72692100  1.0
  Si  Si17  1  0.53600300  0.08977700  0.39697400  1.0
  Si  Si18  1  0.38148500  0.12076800  0.77999100  1.0
  Si  Si19  1  0.85374500  0.80178500  0.44053200  1.0
  Si  Si20  1  0.99853900  0.44847800  0.12502400  1.0
  Si  Si21  1  0.96991400  0.13189200  0.78558900  1.0
  Si  Si22  1  0.17098500  0.47614800  0.44243500  1.0
  Si  Si23  1  0.70638800  0.12002800  0.08101200  1.0