data_[Hf2Zr6Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2480]
_cell_length_b [9.7256]
_cell_length_c [7.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HfZr3Tc]
_chemical_formula_sum '[Hf2 Zr6 Tc2]'
_cell_volume [222.1690]
_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  2  0.0000  0.0000  0.5591  1
  Zr  Zr1  4  0.0000  0.2460  0.2592  1
  Zr  Zr2  2  0.0000  0.0000  0.9606  1
  Tc  Tc3  2  0.0000  0.5000  0.7373  1
]