data_CoB2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Se
_chemical_formula_sum   'Co1 B2 Se1'
_cell_volume   42.76
_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  Co2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.38  0.38  0.75  1.0
  B  B1  1  0.38  0.38  0.86  1.0
  Se  Se3  1  0.0  0.0  0.81  1.0

data_CoB2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoB2Se
_chemical_formula_sum   'Co2 B4 Se2'
_cell_volume   85.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  B  B1  2  0.38  0.0  0.75  1.0
  B  B2  2  0.38  0.0  0.86  1.0
  Se  Se3  2  0.0  0.0  0.81  1.0

Co B B Se