data_MnCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.88
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdGa2
_chemical_formula_sum   'Mn1 Cd1 Ga2'
_cell_volume   68.24
_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
  Mn  Mn3  1  0.0  0.0  0.65  1.0
  Cd  Cd0  1  0.56  0.94  0.23  1.0
  Ga  Ga1  1  0.0  0.0  0.05  1.0
  Ga  Ga2  1  0.56  0.94  0.52  1.0

data_MnCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.88
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdGa2
_chemical_formula_sum   'Mn1 Cd1 Ga2'
_cell_volume   68.24
_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
  Mn  Mn0  1  0.0  0.0  0.65  1.0
  Cd  Cd1  1  0.56  0.94  0.23  1.0
  Ga  Ga2  1  0.0  0.0  0.05  1.0
  Ga  Ga3  1  0.56  0.94  0.52  1.0

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