data_Co3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   12.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Sn
_chemical_formula_sum   'Co18 Sn6'
_cell_volume   311.72
_cell_formula_units_Z   6
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  0.65  0.09  0.21  1.0
  Co  Co1  1  0.89  0.25  0.21  1.0
  Co  Co2  1  0.4  0.25  0.21  1.0
  Co  Co3  1  0.0  0.5  0.63  1.0
  Co  Co4  1  0.75  0.34  0.63  1.0
  Co  Co5  1  0.25  0.34  0.63  1.0
  Co  Co6  1  0.65  0.05  0.36  1.0
  Co  Co7  1  0.33  0.77  0.36  1.0
  Co  Co8  1  0.96  0.77  0.36  1.0
  Co  Co9  1  0.65  0.05  0.06  1.0
  Co  Co10  1  0.33  0.77  0.06  1.0
  Co  Co11  1  0.96  0.77  0.06  1.0
  Co  Co12  1  0.0  0.54  0.48  1.0
  Co  Co13  1  0.32  0.82  0.48  1.0
  Co  Co14  1  0.68  0.82  0.48  1.0
  Co  Co15  1  0.0  0.54  0.78  1.0
  Co  Co16  1  0.32  0.82  0.78  1.0
  Co  Co17  1  0.68  0.82  0.78  1.0
  Sn  Sn18  1  0.0  0.0  0.21  1.0
  Sn  Sn19  1  0.0  0.0  0.63  1.0
  Sn  Sn20  1  0.65  0.53  0.74  1.0
  Sn  Sn21  1  0.65  0.53  0.52  1.0
  Sn  Sn22  1  0.0  0.06  0.32  1.0
  Sn  Sn23  1  0.0  0.06  0.1  1.0

data_Co3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   12.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Sn
_chemical_formula_sum   'Co18 Sn6'
_cell_volume   311.72
_cell_formula_units_Z   6
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  0.5  0.63  1.0
  Co  Co1  1  0.0  0.54  0.48  1.0
  Co  Co2  1  0.0  0.54  0.78  1.0
  Co  Co3  1  0.25  0.34  0.63  1.0
  Co  Co4  1  0.32  0.82  0.48  1.0
  Co  Co5  1  0.32  0.82  0.78  1.0
  Co  Co6  1  0.33  0.77  0.06  1.0
  Co  Co7  1  0.33  0.77  0.36  1.0
  Co  Co8  1  0.4  0.25  0.21  1.0
  Co  Co9  1  0.65  0.05  0.06  1.0
  Co  Co10  1  0.65  0.05  0.36  1.0
  Co  Co11  1  0.65  0.09  0.21  1.0
  Co  Co12  1  0.68  0.82  0.48  1.0
  Co  Co13  1  0.68  0.82  0.78  1.0
  Co  Co14  1  0.75  0.34  0.63  1.0
  Co  Co15  1  0.89  0.25  0.21  1.0
  Co  Co16  1  0.96  0.77  0.06  1.0
  Co  Co17  1  0.96  0.77  0.36  1.0
  Sn  Sn18  1  0.0  0.0  0.21  1.0
  Sn  Sn19  1  0.0  0.0  0.63  1.0
  Sn  Sn20  1  0.0  0.06  0.1  1.0
  Sn  Sn21  1  0.0  0.06  0.32  1.0
  Sn  Sn22  1  0.65  0.53  0.52  1.0
  Sn  Sn23  1  0.65  0.53  0.74  1.0

Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Sn Sn Sn Sn Sn Sn
Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Sn Sn Sn Sn Sn Sn 0 1 o o o 0 2 o o o 0 6 o o o 0 9 o o o 1 18 + o o 2 18 o o o 3 4 - o o 3 5 o o o 3 12 o o o 3 15 o o o 5 19 o o o 6 7 o - o 6 22 + o o 7 13 o o o 8 22 + + o 9 10 o - o 9 23 + o o 11 23 + + o 12 21 - o o 12 13 o o o 14 21 o o o 15 20 - o o 15 16 o o o 17 20 o o o 18 23 o o o 18 22 o o o 