data_[Fe8Tc8Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.6300]
_cell_length_b [7.8622]
_cell_length_c [8.4524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [FeTcNi]
_chemical_formula_sum '[Fe8 Tc8 Ni8]'
_cell_volume [307.6819]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.1469  1
  Tc  Tc1  8  0.0000  0.1540  0.5000  1
  Ni  Ni2  8  0.2500  0.2500  0.2500  1
]