data_[Tm4Tl5Ag2]
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 [P2/m]
_cell_length_a [8.0830]
_cell_length_b [3.5762]
_cell_length_c [9.8466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Tl5Ag2]
_chemical_formula_sum '[Tm4 Tl5 Ag2]'
_cell_volume [284.4578]
_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  2  0.2099  0.5000  0.8589  1.0
  Tm  Tm1  2  0.2286  0.5000  0.4084  1.0
  Tl  Tl2  2  0.1366  0.0000  0.1318  1.0
  Tl  Tl3  2  0.4532  0.0000  0.6611  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Ag  Ag5  2  0.0810  0.0000  0.6284  1.0
]