data_[Ni4Se4O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P4_12_12]
_cell_length_a [6.4098]
_cell_length_b [6.4098]
_cell_length_c [15.3411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [NiSeO10]
_chemical_formula_sum '[Ni4 Se4 O40]'
_cell_volume [630.3046]
_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
[
  Ni  Ni0  4  0.2158  0.2158  0.0000  1
  Se  Se1  4  0.2092  0.7908  0.7500  1
  O  O2  8  0.0199  0.8131  0.4320  1
  O  O3  8  0.0304  0.3286  0.5071  1
  O  O4  8  0.0469  0.7246  0.1868  1
  O  O5  8  0.0714  0.3617  0.0869  1
  O  O6  8  0.1006  0.8957  0.6592  1
]