data_MnZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.18
_cell_angle_alpha   101.82
_cell_angle_beta   101.82
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnCd2
_chemical_formula_sum   'Mn1 Zn1 Cd2'
_cell_volume   72.33
_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  0.22  0.0  0.47  1.0
  Zn  Zn3  1  0.09  0.0  0.34  1.0
  Cd  Cd0  1  0.06  0.0  0.06  1.0
  Cd  Cd1  1  0.54  0.0  0.71  1.0

data_MnZnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.08
_cell_length_c   5.18
_cell_angle_alpha   101.82
_cell_angle_beta   90.0
_cell_angle_gamma   106.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnCd2
_chemical_formula_sum   'Mn1 Zn1 Cd2'
_cell_volume   72.33
_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  0.78  0.53  1.0
  Zn  Zn1  1  0.0  0.91  0.66  1.0
  Cd  Cd2  1  0.0  0.46  0.29  1.0
  Cd  Cd3  1  0.0  0.94  0.94  1.0

Mn Zn Cd Cd
Mn Zn Cd Cd 0 1 o o o 0 3 o o o 1 2 o o o 