data_[Ba4Sm4Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6316]
_cell_length_b [4.5595]
_cell_length_c [15.1735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaSmAgTe3]
_chemical_formula_sum '[Ba4 Sm4 Ag4 Te12]'
_cell_volume [804.7102]
_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  0.2413  0.2500  0.4948  1
  Sm  Sm1  4  0.0103  0.7500  0.7513  1
  Ag  Ag2  4  0.2447  0.7500  0.2804  1
  Te  Te3  4  0.0470  0.7500  0.3886  1
  Te  Te4  4  0.0621  0.2500  0.8917  1
  Te  Te5  4  0.2409  0.2500  0.1687  1
]