data_[Tm1Cd6Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.7225]
_cell_length_b [5.7225]
_cell_length_c [9.7011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Tm(CdAg)6]
_chemical_formula_sum '[Tm1 Cd6 Ag6]'
_cell_volume [275.1199]
_cell_formula_units_Z [1]
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
[
  Tm  Tm0  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.3473  1.0
  Cd  Cd2  2  0.3333  0.6667  0.0000  1.0
  Cd  Cd3  2  0.3333  0.6667  0.5000  1.0
  Ag  Ag4  6  0.0000  0.5000  0.2456  1.0
]