data_[Fe2Pt1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8084]
_cell_length_b [2.8084]
_cell_length_c [6.9425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Fe2PtW]
_chemical_formula_sum '[Fe2 Pt1 W1]'
_cell_volume [54.7556]
_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  0.0000  0.0000  0.0182  1.0
  Fe  Fe1  1  0.5000  0.5000  0.2214  1.0
  Pt  Pt2  1  0.0000  0.0000  0.4848  1.0
  W  W3  1  0.5000  0.5000  0.7756  1.0
]