data_[Cs2Sr2Nb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2693]
_cell_length_b [7.3563]
_cell_length_c [9.9876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSrNbSe4]
_chemical_formula_sum '[Cs2 Sr2 Nb2 Se8]'
_cell_volume [508.8350]
_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  0.2707  0.2500  0.0655  1.0
  Sr  Sr1  2  0.2298  0.2500  0.5466  1.0
  Nb  Nb2  2  0.2123  0.7500  0.3262  1.0
  Se  Se3  4  0.0056  0.5083  0.7163  1.0
  Se  Se4  2  0.4063  0.7500  0.5684  1.0
  Se  Se5  2  0.4130  0.7500  0.1723  1.0
]