data_ZrCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   134.89
_cell_angle_beta   133.67
_cell_angle_gamma   66.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdGa2
_chemical_formula_sum   'Zr1 Cd1 Ga2'
_cell_volume   78.3
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.49  1.0
  Ga  Ga1  1  0.06  0.0  0.21  1.0
  Ga  Ga2  1  0.0  0.11  0.28  1.0

data_ZrCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.23
_cell_length_c   5.37
_cell_angle_alpha   113.17
_cell_angle_beta   112.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdGa2
_chemical_formula_sum   'Zr1 Cd1 Ga2'
_cell_volume   78.3
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.49  0.49  1.0
  Ga  Ga2  1  0.0  0.21  0.15  1.0
  Ga  Ga3  1  0.89  0.16  0.16  1.0

Zr Cd Ga Ga