data_[Tc8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [9.2554]
_cell_length_b [9.2554]
_cell_length_c [2.5377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [TcNi]
_chemical_formula_sum '[Tc8 Ni8]'
_cell_volume [217.3885]
_cell_formula_units_Z [8]
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
[
  Tc  Tc0  4  0.1283  0.3356  0.0000  1
  Tc  Tc1  4  0.1333  0.6023  0.5000  1
  Ni  Ni2  4  0.0744  0.8370  0.0000  1
  Ni  Ni3  4  0.3457  0.4117  0.5000  1
]