data_[Fe2Ni4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5277]
_cell_length_b [2.5796]
_cell_length_c [4.5387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeNi2Mo]
_chemical_formula_sum '[Fe2 Ni4 Mo2]'
_cell_volume [98.4981]
_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  2  0.0053  0.5000  0.5187  1
  Ni  Ni1  2  0.2492  0.0000  0.7439  1
  Ni  Ni2  2  0.4964  0.5000  0.9974  1
  Mo  Mo3  2  0.2491  0.5000  0.2401  1
]