data_CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   3.46
_cell_angle_alpha   53.17
_cell_angle_beta   53.17
_cell_angle_gamma   53.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoS
_chemical_formula_sum   'Co1 S1'
_cell_volume   24.57
_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  0.44  1.0
  S  S1  1  0.0  0.0  0.0  1.0

data_CoS
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   3.1
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   121.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoS
_chemical_formula_sum   'Co2 S2'
_cell_volume   49.15
_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  0.44  1.0
  S  S1  2  0.0  0.0  0.0  1.0

Co S
Co S 0 1 o o o 