data_[Ba9Ce3Sm9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1584]
_cell_length_b [9.1584]
_cell_length_c [24.0161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3CeSm3Te8]
_chemical_formula_sum '[Ba9 Ce3 Sm9 Te24]'
_cell_volume [1744.5031]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Ce  Ce1  3  0.0000  0.0000  0.5000  1
  Sm  Sm2  9  0.0000  0.5000  0.5000  1
  Te  Te3  18  0.0074  0.5037  0.7591  1
  Te  Te4  6  0.0000  0.0000  0.2406  1
]