data_[Cs2Zr2Al2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5882]
_cell_length_b [7.1611]
_cell_length_c [9.2491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrAlSe4]
_chemical_formula_sum '[Cs2 Zr2 Al2 Se8]'
_cell_volume [433.5755]
_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
[
  Cs  Cs0  2  0.2814  0.2500  0.9460  1
  Zr  Zr1  2  0.3239  0.7500  0.5444  1
  Al  Al2  2  0.1496  0.2500  0.3542  1
  Se  Se3  4  0.3925  0.5001  0.3204  1
  Se  Se4  2  0.0528  0.2500  0.5904  1
  Se  Se5  2  0.1597  0.7500  0.8038  1
]