data_Co2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Se
_chemical_formula_sum   'Co2 Se1'
_cell_volume   41.9
_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  0.98  0.14  0.55  1.0
  Co  Co1  1  0.0  0.28  0.55  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   3.1
_cell_length_b   3.95
_cell_length_c   3.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Se
_chemical_formula_sum   'Co2 Se1'
_cell_volume   41.9
_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  0.55  -0.0  0.28  1.0
  Co  Co1  1  0.55  0.98  0.14  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

Co Co Se
Co Co Se 0 1 + o o 0 2 + o + 0 2 + o o 1 2 o o + 