data_[Cs12Pm3Sm9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pm  1.1300  1.8500  1.1100
  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 [9.2719]
_cell_length_b [9.2719]
_cell_length_c [26.8212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4PmSm3Te8]
_chemical_formula_sum '[Cs12 Pm3 Sm9 Te24]'
_cell_volume [1996.8596]
_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
[
  Cs  Cs0  9  0.0000  0.5000  0.5000  1
  Cs  Cs1  3  -0.0000  -0.0000  0.5000  1
  Pm  Pm2  3  -0.0000  -0.0000  0.0000  1
  Sm  Sm3  9  0.0000  0.5000  0.0000  1
  Te  Te4  18  0.0010  0.5005  0.2689  1
  Te  Te5  6  0.0000  0.0000  0.2690  1
]