data_ZrMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.27
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCd2
_chemical_formula_sum   'Zr1 Mn1 Cd2'
_cell_volume   78.53
_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  0.0  0.0  0.05  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.51  0.14  0.67  1.0
  Cd  Cd1  1  0.51  0.14  0.43  1.0

data_ZrMnCd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.27
_cell_length_b   3.01
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrMnCd2
_chemical_formula_sum   'Zr1 Mn1 Cd2'
_cell_volume   78.53
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.05  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.14  0.5  0.43  1.0
  Cd  Cd3  1  0.14  0.5  0.67  1.0

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