data_[Tm16Ni8Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.1680]
_cell_length_b [14.0761]
_cell_length_c [6.7227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tm4Ni2Ag]
_chemical_formula_sum '[Tm16 Ni8 Ag4]'
_cell_volume [615.7717]
_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
[
  Tm  Tm0  4  0.0151  0.2384  0.4349  1.0
  Tm  Tm1  4  0.0690  0.0323  0.7342  1.0
  Tm  Tm2  4  0.0875  0.5263  0.0875  1.0
  Tm  Tm3  4  0.3238  0.8211  0.7459  1.0
  Ni  Ni4  4  0.2245  0.3438  0.9512  1.0
  Ni  Ni5  4  0.3246  0.0956  0.6251  1.0
  Ag  Ag6  4  0.3292  0.3664  0.4215  1.0
]