data_Co2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   31.42
_cell_angle_beta   31.42
_cell_angle_gamma   31.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnB
_chemical_formula_sum   'Co2 Sn1 B1'
_cell_volume   49.33
_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  Co1  1  0.0  0.0  0.86  1.0
  Co  Co2  1  0.0  0.0  0.72  1.0
  Sn  Sn3  1  0.0  0.0  0.4  1.0
  B  B0  1  0.0  0.0  0.2  1.0

data_Co2SnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2SnB
_chemical_formula_sum   'Co4 Sn2 B2'
_cell_volume   98.66
_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  0.14  1.0
  Co  Co1  2  0.0  0.0  0.28  1.0
  Sn  Sn2  2  0.0  0.0  0.6  1.0
  B  B3  2  -0.0  0.0  0.8  1.0

Co Co Sn B
Co Co Sn B 0 1 o o o 2 3 o o o 