data_Cu2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.59
_cell_angle_alpha   109.52
_cell_angle_beta   109.52
_cell_angle_gamma   119.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnB
_chemical_formula_sum   'Cu2 Sn1 B1'
_cell_volume   59.32
_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
  Cu  Cu1  1  0.27  0.19  0.0  1.0
  Cu  Cu2  1  0.27  0.81  0.0  1.0
  Sn  Sn3  1  0.53  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Cu2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.78
_cell_length_c   5.06
_cell_angle_alpha   110.74
_cell_angle_beta   109.52
_cell_angle_gamma   93.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnB
_chemical_formula_sum   'Cu2 Sn1 B1'
_cell_volume   59.32
_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
  Cu  Cu0  1  0.19  0.19  0.45  1.0
  Cu  Cu1  1  0.81  0.81  0.08  1.0
  Sn  Sn2  1  0.0  0.0  0.53  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Cu Cu Sn B