data_[Cr3Fe9Tc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6982]
_cell_length_b [4.6982]
_cell_length_c [11.3691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CrFe3Tc2]
_chemical_formula_sum '[Cr3 Fe9 Tc6]'
_cell_volume [217.3278]
_cell_formula_units_Z [3]
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
[
  Cr  Cr0  3  0.0000  0.0000  0.0000  1
  Fe  Fe1  9  0.0000  0.5000  0.5000  1
  Tc  Tc2  6  0.0000  0.0000  0.3743  1
]