data_[Rb4Hf4Ag4Se12]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6873]
_cell_length_b [3.8996]
_cell_length_c [9.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHfAgSe3]
_chemical_formula_sum '[Rb4 Hf4 Ag4 Se12]'
_cell_volume [635.3361]
_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  0.1445  0.0000  0.5674  1
  Hf  Hf1  4  0.1603  0.0000  0.0726  1
  Ag  Ag2  4  0.0202  0.5000  0.2274  1
  Se  Se3  4  0.1735  0.5000  0.2686  1
  Se  Se4  4  0.1792  0.5000  0.8801  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]