data_[Ba4Tm4Ag4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2925]
_cell_length_b [4.1058]
_cell_length_c [13.7718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaTmAgS3]
_chemical_formula_sum '[Ba4 Tm4 Ag4 S12]'
_cell_volume [581.9869]
_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  0.2494  0.7500  0.9965  1
  Tm  Tm1  4  0.0038  0.2500  0.7504  1
  Ag  Ag2  4  0.2464  0.2500  0.2169  1
  S  S3  8  0.0431  0.2500  0.1176  1
  S  S4  4  0.2462  0.7500  0.3254  1
]