data_ZrMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.27
_cell_angle_alpha   106.47
_cell_angle_beta   106.47
_cell_angle_gamma   33.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCd2
_chemical_formula_sum   'Zr1 Mn1 Cd2'
_cell_volume   79.46
_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  Zr3  1  0.37  0.0  0.52  1.0
  Mn  Mn2  1  0.47  0.0  0.28  1.0
  Cd  Cd0  1  0.62  0.0  0.87  1.0
  Cd  Cd1  1  0.17  0.0  0.9  1.0

data_ZrMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.27
_cell_length_c   5.33
_cell_angle_alpha   106.47
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCd2
_chemical_formula_sum   'Zr1 Mn1 Cd2'
_cell_volume   79.46
_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  Zr0  1  0.0  0.52  0.37  1.0
  Mn  Mn1  1  0.0  0.28  0.47  1.0
  Cd  Cd2  1  0.0  0.87  0.62  1.0
  Cd  Cd3  1  0.0  0.9  0.17  1.0

Zr Mn Cd Cd
Zr Mn Cd Cd 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o - 2 3 o o o 