data_CoAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAg3
_chemical_formula_sum   'Co2 Ag6'
_cell_volume   130.56
_cell_formula_units_Z   2
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  Co6  1  0.85  0.65  0.47  1.0
  Co  Co7  1  0.0  0.3  0.16  1.0
  Ag  Ag0  1  0.0  0.68  0.47  1.0
  Ag  Ag1  1  0.85  0.27  0.16  1.0
  Ag  Ag2  1  0.4  0.1  0.47  1.0
  Ag  Ag3  1  0.45  0.84  0.16  1.0
  Ag  Ag4  1  0.6  0.1  0.47  1.0
  Ag  Ag5  1  0.25  0.84  0.16  1.0

data_CoAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoAg3
_chemical_formula_sum   'Co2 Ag6'
_cell_volume   130.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.43  0.18  1.0
  Ag  Ag1  2  0.16  0.17  0.63  1.0
  Ag  Ag2  2  0.16  0.57  0.21  1.0
  Ag  Ag3  2  0.16  0.97  0.63  1.0

Co Co Ag Ag Ag Ag Ag Ag