[CIF]
data_FeMo22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.20421426
_cell_length_b   10.20421426
_cell_length_c   10.20421426
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo22
_chemical_formula_sum   'Fe2 Mo44'
_cell_volume   751.31785373
_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
  Fe  Fe0  1  3.60773455  3.60773455  3.60773455  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  Mo  Mo2  1  8.05285315  9.93365681  4.49728139  1
  Mo  Mo3  1  8.05285315  4.49728139  9.93365681  1
  Mo  Mo4  1  6.37808505  4.49728139  4.49728139  1
  Mo  Mo5  1  6.37808505  9.93365681  9.93365681  1
  Mo  Mo6  1  4.49728139  6.37808505  4.49728139  1
  Mo  Mo7  1  9.93365681  6.37808505  9.93365681  1
  Mo  Mo8  1  4.49728139  8.05285315  9.93365681  1
  Mo  Mo9  1  9.93365681  8.05285315  4.49728139  1
  Mo  Mo10  1  4.49728139  9.93365681  8.05285315  1
  Mo  Mo11  1  9.93365681  4.49728139  8.05285315  1
  Mo  Mo12  1  9.93365681  9.93365681  6.37808505  1
  Mo  Mo13  1  4.49728139  4.49728139  6.37808505  1
  Mo  Mo14  1  2.77035050  6.32592226  8.10501594  1
  Mo  Mo15  1  2.77035050  8.10501594  6.32592226  1
  Mo  Mo16  1  11.66058770  6.32592226  6.32592226  1
  Mo  Mo17  1  11.66058770  8.10501594  8.10501594  1
  Mo  Mo18  1  6.32592226  6.32592226  11.66058770  1
  Mo  Mo19  1  8.10501594  8.10501594  11.66058770  1
  Mo  Mo20  1  6.32592226  8.10501594  2.77035050  1
  Mo  Mo21  1  8.10501594  6.32592226  2.77035050  1
  Mo  Mo22  1  6.32592226  2.77035050  8.10501594  1
  Mo  Mo23  1  8.10501594  2.77035050  6.32592226  1
  Mo  Mo24  1  8.10501594  11.66058770  8.10501594  1
  Mo  Mo25  1  6.32592226  11.66058770  6.32592226  1
  Mo  Mo26  1  10.82320365  8.80004615  10.82320365  1
  Mo  Mo27  1  10.82320365  12.84636115  10.82320365  1
  Mo  Mo28  1  10.82320365  10.82320365  12.84636115  1
  Mo  Mo29  1  10.82320365  10.82320365  8.80004615  1
  Mo  Mo30  1  12.84636115  10.82320365  10.82320365  1
  Mo  Mo31  1  8.80004615  10.82320365  10.82320365  1
  Mo  Mo32  1  7.21546910  7.21546910  9.23862660  1
  Mo  Mo33  1  7.21546910  7.21546910  5.19231160  1
  Mo  Mo34  1  7.21546910  5.19231160  7.21546910  1
  Mo  Mo35  1  7.21546910  9.23862660  7.21546910  1
  Mo  Mo36  1  5.19231160  7.21546910  7.21546910  1
  Mo  Mo37  1  9.23862660  7.21546910  7.21546910  1
  Mo  Mo38  1  5.41160183  1.80386728  5.41160183  1
  Mo  Mo39  1  5.41160183  5.41160183  1.80386728  1
  Mo  Mo40  1  1.80386728  5.41160183  5.41160183  1
  Mo  Mo41  1  1.80386728  1.80386728  1.80386728  1
  Mo  Mo42  1  5.41160183  9.01933638  5.41160183  1
  Mo  Mo43  1  5.41160183  5.41160183  9.01933638  1
  Mo  Mo44  1  9.01933638  5.41160183  5.41160183  1
  Mo  Mo45  1  9.01933638  9.01933638  9.01933638  1
[/CIF]
