data_[Cs2Ni2Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1554]
_cell_length_b [5.3124]
_cell_length_c [8.0723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNi(SeO4)2]
_chemical_formula_sum '[Cs2 Ni2 Se4 O16]'
_cell_volume [427.8379]
_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  0.5000  0.5000  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1862  0.5000  0.1414  1.0
  O  O3  8  0.1051  0.2443  0.1792  1.0
  O  O4  4  0.1647  0.0000  0.6797  1.0
  O  O5  4  0.1793  0.5000  0.9344  1.0
]