data_[Tm4Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4633]
_cell_length_b [4.7141]
_cell_length_c [9.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAgTe3]
_chemical_formula_sum '[Tm4 Ag4 Te12]'
_cell_volume [681.9898]
_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  0.1550  0.5000  0.3280  1
  Ag  Ag1  4  0.1460  0.0000  0.8411  1
  Te  Te2  4  0.0295  0.0000  0.1664  1
  Te  Te3  4  0.1482  0.0000  0.5367  1
  Te  Te4  4  0.1682  0.5000  0.0203  1
]