# generated using pymatgen
data_Zr3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86211512
_cell_length_b   10.09261068
_cell_length_c   12.97724485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Fe2Si3
_chemical_formula_sum   'Zr12 Fe8 Si12'
_cell_volume   505.83774700
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.00000000  0.07662600  0.38627300  1
  Zr  Zr1  1  0.50000000  0.42337400  0.61372700  1
  Zr  Zr2  1  0.00000000  0.07662600  0.11372700  1
  Zr  Zr3  1  0.50000000  0.42337400  0.88627300  1
  Zr  Zr4  1  0.00000000  0.36389100  0.25000000  1
  Zr  Zr5  1  0.50000000  0.13610900  0.75000000  1
  Zr  Zr6  1  0.50000000  0.57662600  0.38627300  1
  Zr  Zr7  1  0.00000000  0.92337400  0.61372700  1
  Zr  Zr8  1  0.50000000  0.57662600  0.11372700  1
  Zr  Zr9  1  0.00000000  0.92337400  0.88627300  1
  Zr  Zr10  1  0.50000000  0.86389100  0.25000000  1
  Zr  Zr11  1  0.00000000  0.63610900  0.75000000  1
  Fe  Fe12  1  0.00000000  0.21981700  0.91920800  1
  Fe  Fe13  1  0.50000000  0.28018300  0.08079200  1
  Fe  Fe14  1  0.00000000  0.21981700  0.58079200  1
  Fe  Fe15  1  0.50000000  0.28018300  0.41920800  1
  Fe  Fe16  1  0.50000000  0.71981700  0.91920800  1
  Fe  Fe17  1  0.00000000  0.78018300  0.08079200  1
  Fe  Fe18  1  0.50000000  0.71981700  0.58079200  1
  Fe  Fe19  1  0.00000000  0.78018300  0.41920800  1
  Si  Si20  1  0.00000000  0.38609300  0.45865100  1
  Si  Si21  1  0.50000000  0.11390700  0.54134900  1
  Si  Si22  1  0.00000000  0.38609300  0.04134900  1
  Si  Si23  1  0.50000000  0.11390700  0.95865100  1
  Si  Si24  1  0.50000000  0.16666100  0.25000000  1
  Si  Si25  1  0.00000000  0.33333300  0.75000000  1
  Si  Si26  1  0.50000000  0.88609300  0.45865100  1
  Si  Si27  1  0.00000000  0.61390700  0.54134900  1
  Si  Si28  1  0.50000000  0.88609300  0.04134900  1
  Si  Si29  1  0.00000000  0.61390700  0.95865100  1
  Si  Si30  1  0.00000000  0.66666700  0.25000000  1
  Si  Si31  1  0.50000000  0.83333900  0.75000000  1
