data_[Rb6Hf2Pb4Se12]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4628]
_cell_length_b [12.9181]
_cell_length_c [8.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Hf(PbSe3)2]
_chemical_formula_sum '[Rb6 Hf2 Pb4 Se12]'
_cell_volume [763.8701]
_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  0.1756  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.3346  0.0000  1.0
  Se  Se4  8  0.2147  0.1499  0.1949  1.0
  Se  Se5  4  0.2317  0.0000  0.8021  1.0
]