data_[Tm4Tl4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2498]
_cell_length_b [5.2298]
_cell_length_c [7.5972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmTlAg]
_chemical_formula_sum '[Tm4 Tl4 Ag4]'
_cell_volume [292.8493]
_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  0.2410  0.5000  0.8049  1.0
  Tl  Tl1  4  0.1270  0.5000  0.2741  1.0
  Ag  Ag2  4  0.0268  0.0000  0.7073  1.0
]