data_[Fe1Mo2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6725]
_cell_length_b [4.4060]
_cell_length_c [5.1799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [FeMo2W]
_chemical_formula_sum '[Fe1 Mo2 W1]'
_cell_volume [60.1994]
_cell_formula_units_Z [1]
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  0.2523  0.5000  0.7482  1
  Mo  Mo1  1  0.7522  0.5000  0.2496  1
  Mo  Mo2  1  0.9927  0.0000  0.9966  1
  W  W3  1  0.5029  0.0000  0.5056  1
]