data_CoSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Se
_chemical_formula_sum   'Co1 Sb2 Se1'
_cell_volume   81.96
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.65  0.87  0.65  1.0
  Sb  Sb2  1  0.65  0.13  0.65  1.0
  Se  Se3  1  0.31  0.0  0.0  1.0

data_CoSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   97.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb2Se
_chemical_formula_sum   'Co1 Sb2 Se1'
_cell_volume   81.96
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.65  0.65  0.13  1.0
  Sb  Sb2  1  0.65  0.65  0.87  1.0
  Se  Se3  1  -0.0  0.31  0.0  1.0

Co Sb Sb Se