data_[Tc6Ag6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3849]
_cell_length_b [2.8027]
_cell_length_c [8.1444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcAg]
_chemical_formula_sum '[Tc6 Ag6]'
_cell_volume [195.5121]
_cell_formula_units_Z [6]
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  0.1696  0.5000  0.3662  1
  Tc  Tc1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.1700  0.5000  0.8276  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
]