data_[Cr16Ni16Se8F48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.5111]
_cell_length_b [10.5111]
_cell_length_c [10.5111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Cr2Ni2SeF6]
_chemical_formula_sum '[Cr16 Ni16 Se8 F48]'
_cell_volume [1161.3025]
_cell_formula_units_Z [8]
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
[
  Cr  Cr0  16  0.1250  0.1250  0.6250  1
  Ni  Ni1  16  0.1250  0.1250  0.1250  1
  Se  Se2  8  0.0000  0.0000  0.5000  1
  F  F3  48  0.0000  0.0000  0.2045  1
]