data_Co2SeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.68
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SeBr
_chemical_formula_sum   'Co2 Se1 Br1'
_cell_volume   85.54
_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  Co1  1  0.44  0.0  0.85  1.0
  Co  Co2  1  0.27  0.84  0.85  1.0
  Se  Se3  1  0.28  0.0  0.31  1.0
  Br  Br0  1  0.25  0.84  0.49  1.0

data_Co2SeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.68
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SeBr
_chemical_formula_sum   'Co2 Se1 Br1'
_cell_volume   85.54
_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  0.27  0.84  0.85  1.0
  Co  Co1  1  0.44  0.0  0.85  1.0
  Se  Se2  1  0.28  0.0  0.31  1.0
  Br  Br3  1  0.25  0.84  0.49  1.0

Co Co Se Br