data_[Rb8Zr4Ti4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0816]
_cell_length_b [20.1228]
_cell_length_c [14.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2ZrTiSe5]
_chemical_formula_sum '[Rb8 Zr4 Ti4 Se20]'
_cell_volume [1198.1153]
_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  0.1252  0.3224  1
  Rb  Rb1  4  0.0000  0.1313  0.6834  1
  Zr  Zr2  4  0.0000  0.2080  0.0300  1
  Ti  Ti3  4  0.0000  0.4252  0.4296  1
  Se  Se4  4  0.0000  0.0578  0.0229  1
  Se  Se5  4  0.0000  0.3047  0.6473  1
  Se  Se6  4  0.0000  0.3086  0.3904  1
  Se  Se7  4  0.0000  0.3296  0.0018  1
  Se  Se8  4  0.0000  0.4853  0.2963  1
]