data_Co2SiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   122.05
_cell_angle_beta   122.05
_cell_angle_gamma   86.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SiSn
_chemical_formula_sum   'Co2 Si1 Sn1'
_cell_volume   53.09
_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  0.07  0.55  1.0
  Co  Co1  1  0.07  0.0  0.55  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.11  1.0

data_Co2SiSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   133.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2SiSn
_chemical_formula_sum   'Co4 Si2 Sn2'
_cell_volume   106.17
_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  4  0.47  0.47  0.49  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.11  1.0

Co Co Si Sn
Co Co Si Sn 0 1 o o o 2 3 o o o 