data_[Cs4Y4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1798]
_cell_length_b [5.0383]
_cell_length_c [14.0617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsYSe2]
_chemical_formula_sum '[Cs4 Y4 Se8]'
_cell_volume [579.5109]
_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
[
  Cs  Cs0  4  0.0936  0.2500  0.6276  1.0
  Y  Y1  4  0.0660  0.7500  0.8824  1.0
  Se  Se2  4  0.1609  0.2500  0.9581  1.0
  Se  Se3  4  0.1629  0.2500  0.2573  1.0
]