data_CdCoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   151.38
_cell_angle_beta   146.45
_cell_angle_gamma   44.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoSe2
_chemical_formula_sum   'Cd1 Co1 Se2'
_cell_volume   76.8
_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
  Cd  Cd0  1  0.0  0.91  0.67  1.0
  Co  Co1  1  0.0  0.0  0.65  1.0
  Se  Se2  1  0.0  0.91  0.28  1.0
  Se  Se3  1  0.0  0.0  0.79  1.0

data_CdCoSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.83
_cell_length_c   6.63
_cell_angle_alpha   106.78
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoSe2
_chemical_formula_sum   'Cd1 Co1 Se2'
_cell_volume   76.8
_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
  Cd  Cd0  1  0.09  0.76  0.76  1.0
  Co  Co1  1  0.0  0.65  0.65  1.0
  Se  Se2  1  0.0  0.79  0.79  1.0
  Se  Se3  1  0.09  0.37  0.37  1.0

Cd Co Se Se