data_[Hf10Si2Tc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5529]
_cell_length_b [6.4883]
_cell_length_c [13.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf5SiTc6]
_chemical_formula_sum '[Hf10 Si2 Tc12]'
_cell_volume [400.9311]
_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
[
  Hf  Hf0  4  0.0000  0.0000  0.3315  1
  Hf  Hf1  4  0.0000  0.5000  0.3391  1
  Hf  Hf2  2  0.0000  0.5000  0.0000  1
  Tc  Tc3  8  0.0000  0.2459  0.1625  1
  Tc  Tc4  4  0.0000  0.2548  0.5000  1
  Si  Si5  2  0.0000  0.0000  0.0000  1
]