data_[Tm12Ag4Te4]
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 [21.9523]
_cell_length_b [3.9518]
_cell_length_c [6.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3AgTe]
_chemical_formula_sum '[Tm12 Ag4 Te4]'
_cell_volume [534.9674]
_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  0.0030  0.0000  0.7573  1.0
  Tm  Tm1  4  0.1222  0.5000  0.0657  1.0
  Tm  Tm2  4  0.1954  0.0000  0.6128  1.0
  Ag  Ag3  4  0.2248  0.0000  0.1303  1.0
  Te  Te4  4  0.0860  0.5000  0.5402  1.0
]