data_[Tc2Ni8W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6332]
_cell_length_b [6.1760]
_cell_length_c [6.2485]
_cell_angle_alpha [108.9963]
_cell_angle_beta [100.9760]
_cell_angle_gamma [109.2850]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TcNi4W]
_chemical_formula_sum '[Tc2 Ni8 W2]'
_cell_volume [150.4212]
_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
[
  Tc  Tc0  2  0.3120  0.1101  0.5209  1
  Ni  Ni1  2  0.1108  0.4051  0.8102  1
  Ni  Ni2  2  0.1198  0.0430  0.8581  1
  Ni  Ni3  2  0.2185  0.7030  0.6241  1
  Ni  Ni4  2  0.3282  0.8497  0.0831  1
  W  W5  2  0.3148  0.4150  0.2469  1
]