data_CoCu2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   131.22
_cell_angle_beta   131.22
_cell_angle_gamma   71.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Sb
_chemical_formula_sum   'Co1 Cu2 Sb1'
_cell_volume   55.1
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.91  0.88  1.0
  Cu  Cu2  1  0.0  0.0  0.76  1.0
  Sb  Sb3  1  0.91  0.0  0.88  1.0

data_CoCu2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.63
_cell_angle_alpha   114.39
_cell_angle_beta   114.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Sb
_chemical_formula_sum   'Co1 Cu2 Sb1'
_cell_volume   55.1
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.76  0.76  0.76  1.0
  Cu  Cu2  1  0.97  0.88  0.97  1.0
  Sb  Sb3  1  0.88  0.97  0.97  1.0

Co Cu Cu Sb
Co Cu Cu Sb 0 3 - o - 0 1 o - - 1 3 - + o 1 2 o + o 2 3 - o o 