data_Mn2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.83
_cell_angle_alpha   103.69
_cell_angle_beta   103.69
_cell_angle_gamma   33.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdGa
_chemical_formula_sum   'Mn2 Cd1 Ga1'
_cell_volume   65.04
_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  Mn2  1  0.36  0.0  0.67  1.0
  Mn  Mn3  1  0.82  0.0  0.07  1.0
  Cd  Cd0  1  0.2  0.0  0.31  1.0
  Ga  Ga1  1  0.54  0.0  0.64  1.0

data_Mn2CdGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.83
_cell_length_c   5.0
_cell_angle_alpha   103.69
_cell_angle_beta   106.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdGa
_chemical_formula_sum   'Mn2 Cd1 Ga1'
_cell_volume   65.04
_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  0.07  0.82  1.0
  Mn  Mn1  1  0.0  0.67  0.36  1.0
  Cd  Cd2  1  0.0  0.31  0.2  1.0
  Ga  Ga3  1  0.0  0.64  0.54  1.0

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