data_[Al8Fe4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.7393]
_cell_length_b [6.7393]
_cell_length_c [5.1930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Al2FeMo]
_chemical_formula_sum '[Al8 Fe4 Mo4]'
_cell_volume [235.8591]
_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
[
  Al  Al0  8  0.2177  0.2500  0.6250  1
  Fe  Fe1  4  0.0000  0.0000  0.5000  1
  Mo  Mo2  4  0.0000  0.0000  0.0000  1
]