data_[V12Fe2Tc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2531]
_cell_length_b [6.0169]
_cell_length_c [12.6940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V6FeTc5]
_chemical_formula_sum '[V12 Fe2 Tc10]'
_cell_volume [324.8446]
_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
[
  V  V0  8  0.0000  0.2490  0.1656  1
  V  V1  4  0.0000  0.2519  0.5000  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  Tc  Tc3  4  0.0000  0.0000  0.3327  1
  Tc  Tc4  4  0.0000  0.5000  0.3361  1
  Tc  Tc5  2  0.0000  0.5000  0.0000  1
]