data_ZrCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   115.59
_cell_angle_beta   115.59
_cell_angle_gamma   29.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Ga
_chemical_formula_sum   'Zr1 Cd2 Ga1'
_cell_volume   83.83
_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  0.48  0.0  0.8  1.0
  Cd  Cd0  1  0.66  0.0  0.7  1.0
  Cd  Cd1  1  0.58  0.0  0.32  1.0
  Ga  Ga2  1  0.53  0.0  0.03  1.0

data_ZrCd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   115.59
_cell_angle_beta   90.0
_cell_angle_gamma   104.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Ga
_chemical_formula_sum   'Zr1 Cd2 Ga1'
_cell_volume   83.83
_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  0.52  0.2  1.0
  Cd  Cd1  1  0.0  0.34  0.3  1.0
  Cd  Cd2  1  0.0  0.42  0.68  1.0
  Ga  Ga3  1  0.0  0.47  0.97  1.0

Zr Cd Cd Ga
Zr Cd Cd Ga 0 1 o o o 0 3 o o + 2 3 o o o 