data_NbCd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.39
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   103.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Ga
_chemical_formula_sum   'Nb1 Cd2 Ga1'
_cell_volume   77.08
_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
  Nb  Nb3  1  0.81  0.19  0.2  1.0
  Cd  Cd0  1  0.78  0.0  0.02  1.0
  Cd  Cd1  1  0.32  0.19  0.42  1.0
  Ga  Ga2  1  0.28  0.0  0.29  1.0

data_NbCd2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.39
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   103.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Ga
_chemical_formula_sum   'Nb1 Cd2 Ga1'
_cell_volume   77.08
_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
  Nb  Nb0  1  0.81  0.19  0.2  1.0
  Cd  Cd1  1  0.32  0.19  0.42  1.0
  Cd  Cd2  1  0.78  0.0  0.02  1.0
  Ga  Ga3  1  0.28  0.0  0.29  1.0

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