# generated using pymatgen
data_CrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40761985
_cell_length_b   4.40761985
_cell_length_c   6.36642494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2
_chemical_formula_sum   'Cr3 Si6'
_cell_volume   107.11110887
_cell_formula_units_Z   3
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
  Cr  Cr0  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr1  1  0.00000000  0.50000000  0.16666700  1
  Cr  Cr2  1  0.50000000  0.50000000  0.83333300  1
  Si  Si3  1  0.16616300  0.83383700  0.83333300  1
  Si  Si4  1  0.33232500  0.16616300  0.16666700  1
  Si  Si5  1  0.83383700  0.66767500  0.50000000  1
  Si  Si6  1  0.83383700  0.16616300  0.83333300  1
  Si  Si7  1  0.66767500  0.83383700  0.16666700  1
  Si  Si8  1  0.16616300  0.33232500  0.50000000  1
