data_Cu2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.76
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiSb
_chemical_formula_sum   'Cu2 Bi1 Sb1'
_cell_volume   82.76
_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  0.7  0.88  0.18  1.0
  Cu  Cu2  1  0.7  0.88  0.3  1.0
  Bi  Bi0  1  0.0  0.0  0.24  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Cu2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.76
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BiSb
_chemical_formula_sum   'Cu2 Bi1 Sb1'
_cell_volume   82.76
_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  0.7  0.88  0.18  1.0
  Cu  Cu1  1  0.7  0.88  0.3  1.0
  Bi  Bi2  1  0.0  0.0  0.24  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Cu Cu Bi Sb
Cu Cu Bi Sb 0 1 o o o 0 2 + + o 0 3 + + o 1 2 + + o 2 3 o o o 