[CIF]
data_ZrFe6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55660591
_cell_length_b   6.55660591
_cell_length_c   11.54727040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.92487757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe6Mo
_chemical_formula_sum   'Zr4 Fe24 Mo4'
_cell_volume   416.67568111
_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
  Fe  Fe0  1  3.13231869  2.87185349  8.60833339  1
  Fe  Fe1  1  4.63344988  1.41586834  10.03413606  1
  Fe  Fe2  1  1.63118750  -1.41586834  10.03413606  1
  Fe  Fe3  1  3.13231869  -2.87185349  8.60833339  1
  Fe  Fe4  1  1.63118750  1.41586834  10.03413606  1
  Fe  Fe5  1  4.63344988  -1.41586834  10.03413606  1
  Fe  Fe6  1  0.00000000  0.00000000  5.77363520  1
  Fe  Fe7  1  1.63079781  -1.46613849  7.15874714  1
  Fe  Fe8  1  1.63079781  1.46613849  7.15874714  1
  Fe  Fe9  1  3.13231869  2.87185349  2.93893701  1
  Fe  Fe10  1  4.63383957  1.46613849  4.38852326  1
  Fe  Fe11  1  1.63079781  -1.46613849  4.38852326  1
  Fe  Fe12  1  3.13231869  -2.87185349  2.93893701  1
  Fe  Fe13  1  1.63079781  1.46613849  4.38852326  1
  Fe  Fe14  1  4.63383957  -1.46613849  4.38852326  1
  Fe  Fe15  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe16  1  1.63118750  -1.41586834  1.51313434  1
  Fe  Fe17  1  1.63118750  1.41586834  1.51313434  1
  Fe  Fe18  1  3.13231869  0.00000000  5.77363520  1
  Fe  Fe19  1  4.63383957  -1.46613849  7.15874714  1
  Fe  Fe20  1  4.63383957  1.46613849  7.15874714  1
  Fe  Fe21  1  3.13231869  0.00000000  0.00000000  1
  Fe  Fe22  1  4.63344988  -1.41586834  1.51313434  1
  Fe  Fe23  1  4.63344988  1.41586834  1.51313434  1
  Mo  Mo24  1  3.13231869  2.91614344  5.77363520  1
  Mo  Mo25  1  3.13231869  -2.91614344  5.77363520  1
  Mo  Mo26  1  3.13231869  0.00000000  8.65737464  1
  Mo  Mo27  1  3.13231869  0.00000000  2.88989576  1
  Zr  Zr28  1  3.13231869  2.91229668  0.00000000  1
  Zr  Zr29  1  3.13231869  -2.91229668  0.00000000  1
  Zr  Zr30  1  0.00000000  0.00000000  8.63485851  1
  Zr  Zr31  1  0.00000000  0.00000000  2.91241189  1
[/CIF]
