# generated using pymatgen
data_Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46872800
_cell_length_b   5.46872800
_cell_length_c   5.46872800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si
_chemical_formula_sum   Si8
_cell_volume   163.55317139
_cell_formula_units_Z   8
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
  Si  Si0  1  0.25000000  0.75000000  0.25000000  1.0
  Si  Si1  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si2  1  0.25000000  0.25000000  0.75000000  1.0
  Si  Si3  1  0.00000000  0.50000000  0.00000000  1.0
  Si  Si4  1  0.75000000  0.75000000  0.75000000  1.0
  Si  Si5  1  0.50000000  0.00000000  0.00000000  1.0
  Si  Si6  1  0.75000000  0.25000000  0.25000000  1.0
  Si  Si7  1  0.50000000  0.50000000  0.50000000  1.0
