data_[Ba4Tm4Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Pnma]
_cell_length_a [11.4256]
_cell_length_b [4.5071]
_cell_length_c [15.0753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaTmAgTe3]
_chemical_formula_sum '[Ba4 Tm4 Ag4 Te12]'
_cell_volume [776.3273]
_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
[
  Ba  Ba0  4  0.2456  0.7500  0.4932  1
  Tm  Tm1  4  0.0071  0.2500  0.7505  1
  Ag  Ag2  4  0.2470  0.2500  0.2830  1
  Te  Te3  4  0.0431  0.2500  0.3866  1
  Te  Te4  4  0.0519  0.7500  0.8884  1
  Te  Te5  4  0.2435  0.7500  0.1707  1
]