data_Cd2GaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   144.02
_cell_angle_beta   131.58
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaCu
_chemical_formula_sum   'Cd2 Ga1 Cu1'
_cell_volume   74.98
_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  0.72  0.0  0.13  1.0
  Cd  Cd1  1  0.0  0.28  0.64  1.0
  Ga  Ga3  1  0.0  0.0  0.78  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Cd2GaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.57
_cell_length_c   5.57
_cell_angle_alpha   114.21
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaCu
_chemical_formula_sum   'Cd2 Ga1 Cu1'
_cell_volume   74.98
_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  0.13  0.41  1.0
  Cd  Cd1  1  0.72  0.36  0.36  1.0
  Ga  Ga2  1  0.0  0.78  0.78  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Cd Cd Ga Cu