data_MnZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   153.0
_cell_angle_beta   153.0
_cell_angle_gamma   38.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnCd
_chemical_formula_sum   'Mn1 Zn1 Cd1'
_cell_volume   49.6
_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  Mn1  1  0.0  0.0  0.78  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.72  1.0

data_MnZnCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   109.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnZnCd
_chemical_formula_sum   'Mn2 Zn2 Cd2'
_cell_volume   99.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.28  0.5  0.78  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.22  0.5  0.72  1.0

Mn Zn Cd