data_[Cs2Gd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Gd  1.2000  1.8000  1.0750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.3338]
_cell_length_b [6.3338]
_cell_length_c [9.0670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [CsGdSe4]
_chemical_formula_sum '[Cs2 Gd2 Se8]'
_cell_volume [363.7402]
_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  0.0000  0.0000  0.0000  1
  Gd  Gd1  2  0.0000  0.0000  0.5000  1
  Se  Se2  8  0.1358  0.3642  0.3090  1
]