data_Co2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   127.78
_cell_angle_beta   127.78
_cell_angle_gamma   76.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnB
_chemical_formula_sum   'Co2 Sn1 B1'
_cell_volume   47.01
_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  0.88  0.0  0.67  1.0
  Co  Co2  1  0.0  0.88  0.67  1.0
  Sn  Sn3  1  0.0  0.0  0.34  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Co2SnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   128.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2SnB
_chemical_formula_sum   'Co4 Sn2 B2'
_cell_volume   94.02
_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  0.06  0.94  0.79  1.0
  Sn  Sn1  2  0.0  0.0  0.34  1.0
  B  B2  2  0.0  0.0  0.0  1.0

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