data_[Rb4Li2Zr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8155]
_cell_length_b [11.6791]
_cell_length_c [8.5534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Li(ZrSe3)2]
_chemical_formula_sum '[Rb4 Li2 Zr4 Se12]'
_cell_volume [659.3162]
_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  0.1640  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Zr  Zr2  4  0.0000  0.3328  0.5000  1.0
  Se  Se3  8  0.2330  0.1718  0.6870  1.0
  Se  Se4  4  0.2071  0.5000  0.6906  1.0
]