data_[Co14Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [9.9426]
_cell_length_b [9.9426]
_cell_length_c [18.5091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [Co7Se8]
_chemical_formula_sum '[Co14 Se16]'
_cell_volume [1829.7223]
_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
[
  Co  Co0  8  0.1014  0.1400  0.4764  1
  Co  Co1  4  0.2451  0.2549  0.5532  1
  Co  Co2  2  0.0000  0.5000  0.4287  1
  Se  Se3  8  0.0176  0.7651  0.5761  1
  Se  Se4  4  0.1624  0.3376  0.4105  1
  Se  Se5  2  0.0000  0.0000  0.3865  1
  Se  Se6  2  0.0000  0.5000  0.5475  1
]