data_Co2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.61
_cell_length_c   2.26
_cell_angle_alpha   85.06
_cell_angle_beta   72.34
_cell_angle_gamma   22.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Se
_chemical_formula_sum   'Co2 Se1'
_cell_volume   23.16
_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  0.05  0.01  0.66  1.0
  Co  Co1  1  0.05  0.01  0.37  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Co2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.09
_cell_length_b   2.26
_cell_length_c   5.61
_cell_angle_alpha   85.06
_cell_angle_beta   79.26
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Se
_chemical_formula_sum   'Co2 Se1'
_cell_volume   23.16
_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  0.34  0.71  0.95  1.0
  Co  Co1  1  0.63  0.41  0.95  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

Co Co Se