# generated using pymatgen
data_ZrFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00988852
_cell_length_b   6.48252405
_cell_length_c   6.93615122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSi
_chemical_formula_sum   'Zr4 Fe4 Si4'
_cell_volume   180.29969350
_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  0.25000000  0.98873317  0.30342533  1.0
  Zr  Zr1  1  0.25000000  0.48869907  0.19657639  1.0
  Zr  Zr2  1  0.75000000  0.01130093  0.69657639  1.0
  Zr  Zr3  1  0.75000000  0.51126683  0.80342533  1.0
  Fe  Fe4  1  0.25000000  0.15222140  0.93697448  1.0
  Fe  Fe5  1  0.25000000  0.65223577  0.56301508  1.0
  Fe  Fe6  1  0.75000000  0.84776423  0.06301508  1.0
  Fe  Fe7  1  0.75000000  0.34777860  0.43697448  1.0
  Si  Si8  1  0.25000000  0.29166971  0.60631210  1.0
  Si  Si9  1  0.25000000  0.79168813  0.89369763  1.0
  Si  Si10  1  0.75000000  0.70831187  0.39369763  1.0
  Si  Si11  1  0.75000000  0.20833029  0.10631210  1.0