data_[Fe4Re4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.2953]
_cell_length_b [4.6485]
_cell_length_c [8.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [FeReTc]
_chemical_formula_sum '[Fe4 Re4 Tc4]'
_cell_volume [161.6756]
_cell_formula_units_Z [4]
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  4  0.2500  0.1570  0.5947  1
  Tc  Tc1  4  0.2500  0.1716  0.2575  1
  Re  Re2  4  0.2500  0.1725  0.9312  1
]