# generated using pymatgen
data_ZrNbFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92439966
_cell_length_b   4.92439966
_cell_length_c   8.04650172
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbFe4
_chemical_formula_sum   'Zr2 Nb2 Fe8'
_cell_volume   168.98350951
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.93342000  1
  Zr  Zr1  1  0.33333300  0.66666700  0.06658000  1
  Nb  Nb2  1  0.33333300  0.66666700  0.44423500  1
  Nb  Nb3  1  0.66666700  0.33333300  0.55576500  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.83211500  0.16788500  0.25540400  1
  Fe  Fe7  1  0.83211500  0.66423000  0.25540400  1
  Fe  Fe8  1  0.33577000  0.16788500  0.25540400  1
  Fe  Fe9  1  0.16788500  0.83211500  0.74459600  1
  Fe  Fe10  1  0.16788500  0.33577000  0.74459600  1
  Fe  Fe11  1  0.66423000  0.83211500  0.74459600  1
