data_[Rb6Sm4Hf2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7369]
_cell_length_b [13.4297]
_cell_length_c [8.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Sm2HfTe6]
_chemical_formula_sum '[Rb6 Sm4 Hf2 Te12]'
_cell_volume [893.5424]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  4  0.0000  0.1729  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3341  0.0000  1.0
  Hf  Hf3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2228  0.1565  0.1984  1.0
  Te  Te5  4  0.2457  0.0000  0.7995  1.0
]