data_[Tc4Ag4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ag  1.9300  1.6000  1.0867
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.4985]
_cell_length_b [4.8482]
_cell_length_c [8.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [TcAgW]
_chemical_formula_sum '[Tc4 Ag4 W4]'
_cell_volume [192.7083]
_cell_formula_units_Z [4]
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  0.2500  0.1661  0.0627  1
  Ag  Ag1  4  0.2500  0.1735  0.3846  1
  W  W2  4  0.2500  0.1690  0.7019  1
]