data_CdGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.51
_cell_angle_alpha   103.77
_cell_angle_beta   103.77
_cell_angle_gamma   34.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaNi2
_chemical_formula_sum   'Cd1 Ga1 Ni2'
_cell_volume   56.3
_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
  Cd  Cd0  1  0.03  0.0  0.36  1.0
  Ga  Ga1  1  0.49  0.0  0.81  1.0
  Ni  Ni2  1  0.06  0.0  0.14  1.0
  Ni  Ni3  1  0.57  0.0  0.24  1.0

data_CdGaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.51
_cell_length_c   4.78
_cell_angle_alpha   103.77
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaNi2
_chemical_formula_sum   'Cd1 Ga1 Ni2'
_cell_volume   56.3
_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
  Cd  Cd0  1  0.0  0.36  0.03  1.0
  Ga  Ga1  1  0.0  0.81  0.49  1.0
  Ni  Ni2  1  0.0  0.14  0.06  1.0
  Ni  Ni3  1  0.0  0.24  0.57  1.0

Cd Ga Ni Ni
Cd Ga Ni Ni 0 2 o o o 0 3 - o o 1 3 o o + 2 3 o o o 