data_Co(NiSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.16
_cell_angle_alpha   118.69
_cell_angle_beta   118.69
_cell_angle_gamma   33.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co(NiSe2)2
_chemical_formula_sum   'Co1 Ni2 Se4'
_cell_volume   116.11
_cell_formula_units_Z   1
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  1  0.26  0.0  0.49  1.0
  Ni  Ni1  1  0.96  0.0  0.01  1.0
  Ni  Ni2  1  0.64  0.0  0.85  1.0
  Se  Se3  1  0.08  0.0  0.42  1.0
  Se  Se4  1  0.87  0.0  0.86  1.0
  Se  Se5  1  0.29  0.0  0.14  1.0
  Se  Se6  1  0.6  0.0  0.23  1.0

data_Co(NiSe2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   6.16
_cell_length_c   6.26
_cell_angle_alpha   118.69
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co(NiSe2)2
_chemical_formula_sum   'Co1 Ni2 Se4'
_cell_volume   116.11
_cell_formula_units_Z   1
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  1  0.0  0.49  0.26  1.0
  Ni  Ni1  1  0.0  0.01  0.96  1.0
  Ni  Ni2  1  0.0  0.85  0.64  1.0
  Se  Se3  1  0.0  0.14  0.29  1.0
  Se  Se4  1  0.0  0.23  0.6  1.0
  Se  Se5  1  0.0  0.42  0.08  1.0
  Se  Se6  1  0.0  0.86  0.87  1.0

Co Ni Ni Se Se Se Se
Co Ni Ni Se Se Se Se 0 3 o o o 1 4 o o - 1 5 + o o 2 4 o o o 5 6 o o o 