data_Fe2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   35.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnB
_chemical_formula_sum   'Fe2 Sn1 B1'
_cell_volume   53.31
_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  0.91  0.0  0.54  1.0
  Fe  Fe2  1  0.0  0.0  0.23  1.0
  Sn  Sn3  1  0.91  0.0  0.11  1.0
  B  B0  1  0.0  0.0  0.16  1.0

data_Fe2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.83
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnB
_chemical_formula_sum   'Fe2 Sn1 B1'
_cell_volume   53.31
_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  Fe0  1  0.46  0.91  0.46  1.0
  Fe  Fe1  1  0.77  0.0  0.77  1.0
  Sn  Sn2  1  0.89  0.91  0.89  1.0
  B  B3  1  0.84  0.0  0.84  1.0

Fe Fe Sn B
Fe Fe Sn B 0 1 + o o 1 3 o o o 2 3 + o o 