data_ZrMnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.76
_cell_length_c   2.97
_cell_angle_alpha   81.07
_cell_angle_beta   73.95
_cell_angle_gamma   24.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCd
_chemical_formula_sum   'Zr1 Mn1 Cd1'
_cell_volume   55.1
_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
  Zr  Zr2  1  0.77  0.39  0.07  1.0
  Mn  Mn1  1  0.77  0.39  0.81  1.0
  Cd  Cd0  1  0.77  0.39  0.18  1.0

data_ZrMnCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.53
_cell_length_b   13.06
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   126.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnCd
_chemical_formula_sum   'Zr2 Mn2 Cd2'
_cell_volume   110.2
_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
  Zr  Zr0  2  0.07  0.0  0.84  1.0
  Mn  Mn1  2  0.31  0.5  0.57  1.0
  Cd  Cd2  2  0.18  0.0  0.94  1.0

Zr Mn Cd
Zr Mn Cd 0 2 o o o 0 1 o o - 