data_[Rb12Hf4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [9.7899]
_cell_length_b [14.9650]
_cell_length_c [9.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3HfTe3]
_chemical_formula_sum '[Rb12 Hf4 Te12]'
_cell_volume [1283.7007]
_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
[
  Rb  Rb0  4  0.0000  0.1688  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2730  0.0000  1.0
  Rb  Rb2  4  0.1044  0.5000  0.3680  1.0
  Hf  Hf3  4  0.1455  0.0000  0.1363  1.0
  Te  Te4  8  0.2128  0.3493  0.7231  1.0
  Te  Te5  4  0.1292  0.0000  0.8238  1.0
]