data_Cu2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.57
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   109.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BSb
_chemical_formula_sum   'Cu2 B1 Sb1'
_cell_volume   62.14
_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  0.48  0.78  0.08  1.0
  Cu  Cu2  1  0.91  0.0  0.94  1.0
  B  B0  1  0.37  0.0  0.89  1.0
  Sb  Sb3  1  0.2  0.78  0.11  1.0

data_Cu2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.72
_cell_length_c   4.96
_cell_angle_alpha   109.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BSb
_chemical_formula_sum   'Cu2 B1 Sb1'
_cell_volume   62.14
_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  0.0  0.09  0.06  1.0
  Cu  Cu1  1  0.22  0.52  0.92  1.0
  B  B2  1  0.0  0.63  0.11  1.0
  Sb  Sb3  1  0.22  0.8  0.89  1.0

Cu Cu B Sb