data_[Rb2Ti2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7149]
_cell_length_b [3.8799]
_cell_length_c [10.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTiAgSe3]
_chemical_formula_sum '[Rb2 Ti2 Ag2 Se6]'
_cell_volume [316.1615]
_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  2  0.2467  0.7500  0.2707  1.0
  Ti  Ti1  2  0.3112  0.2500  0.8403  1.0
  Ag  Ag2  2  0.0688  0.7500  0.6099  1.0
  Se  Se3  2  0.1262  0.7500  0.8789  1.0
  Se  Se4  2  0.2688  0.2500  0.5794  1.0
  Se  Se5  2  0.4698  0.2500  0.1234  1.0
]