# generated using pymatgen
data_ZrFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42442003
_cell_length_b   3.99056099
_cell_length_c   6.99882113
_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   179.42905695
_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  0.99483900  0.30256000  1
  Zr  Zr1  1  0.25000000  0.49483900  0.19744000  1
  Zr  Zr2  1  0.75000000  0.00516100  0.69744000  1
  Zr  Zr3  1  0.75000000  0.50516100  0.80256000  1
  Fe  Fe4  1  0.25000000  0.15497600  0.93754900  1
  Fe  Fe5  1  0.25000000  0.65497600  0.56245100  1
  Fe  Fe6  1  0.75000000  0.84502400  0.06245100  1
  Fe  Fe7  1  0.75000000  0.34502400  0.43754900  1
  Si  Si8  1  0.25000000  0.29122700  0.60659800  1
  Si  Si9  1  0.25000000  0.79122700  0.89340200  1
  Si  Si10  1  0.75000000  0.70877300  0.39340200  1
  Si  Si11  1  0.75000000  0.20877300  0.10659800  1
