data_Fe2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   132.76
_cell_angle_beta   132.76
_cell_angle_gamma   69.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnB
_chemical_formula_sum   'Fe2 Sn1 B1'
_cell_volume   49.22
_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
  Fe  Fe1  1  0.82  0.0  0.87  1.0
  Fe  Fe2  1  0.0  0.82  0.87  1.0
  Sn  Sn3  1  0.0  0.0  0.73  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Fe2SnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   124.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2SnB
_chemical_formula_sum   'Fe4 Sn2 B2'
_cell_volume   98.45
_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
  Fe  Fe0  4  0.09  0.09  0.05  1.0
  Sn  Sn1  2  0.0  0.0  0.73  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Fe Fe Sn B