data_[Fe4Tc2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7166]
_cell_length_b [2.6719]
_cell_length_c [4.5587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe2TcW]
_chemical_formula_sum '[Fe4 Tc2 W2]'
_cell_volume [104.4572]
_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  0.2534  0.0000  0.7391  1
  Fe  Fe1  2  0.4916  0.5000  0.9980  1
  Tc  Tc2  2  0.0095  0.5000  0.5354  1
  W  W3  2  0.2455  0.5000  0.2276  1
]