data_Co2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   140.2
_cell_angle_beta   140.2
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2BSe
_chemical_formula_sum   'Co2 B1 Se1'
_cell_volume   44.19
_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  0.62  0.0  0.09  1.0
  Co  Co2  1  0.0  0.0  0.18  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.62  0.09  1.0

data_Co2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   4.77
_cell_angle_alpha   109.9
_cell_angle_beta   109.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2BSe
_chemical_formula_sum   'Co2 B1 Se1'
_cell_volume   44.19
_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  0.82  0.0  0.82  1.0
  Co  Co1  1  0.91  0.0  0.53  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.53  0.62  0.53  1.0

Co Co B Se