data_[Rb8Zr4Sn4Se20]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0763]
_cell_length_b [20.3306]
_cell_length_c [14.8599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2ZrSnSe5]
_chemical_formula_sum '[Rb8 Zr4 Sn4 Se20]'
_cell_volume [1231.5013]
_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  0.1265  0.6824  1.0
  Rb  Rb1  4  0.0000  0.1326  0.3206  1.0
  Zr  Zr2  4  0.0000  0.2136  0.0318  1.0
  Sn  Sn3  4  0.0000  0.4355  0.4235  1.0
  Se  Se4  4  0.0000  0.0581  0.0366  1.0
  Se  Se5  4  0.0000  0.3009  0.6471  1.0
  Se  Se6  4  0.0000  0.3093  0.3977  1.0
  Se  Se7  4  0.0000  0.3330  0.0035  1.0
  Se  Se8  4  0.0000  0.4967  0.2808  1.0
]