data_Cd2CuSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.4
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   103.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuSb
_chemical_formula_sum   'Cd2 Cu1 Sb1'
_cell_volume   95.72
_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
  Cd  Cd0  1  0.41  0.0  0.16  1.0
  Cd  Cd1  1  0.55  0.2  0.41  1.0
  Cu  Cu2  1  0.47  0.0  0.44  1.0
  Sb  Sb3  1  0.63  0.2  0.36  1.0

data_Cd2CuSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.42
_cell_length_c   5.06
_cell_angle_alpha   103.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuSb
_chemical_formula_sum   'Cd2 Cu1 Sb1'
_cell_volume   95.72
_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
  Cd  Cd0  1  0.0  0.59  0.84  1.0
  Cd  Cd1  1  0.8  0.45  0.59  1.0
  Cu  Cu2  1  0.0  0.53  0.56  1.0
  Sb  Sb3  1  0.8  0.37  0.64  1.0

Cd Cd Cu Sb
Cd Cd Cu Sb 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 