data_Zr2CdCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   138.29
_cell_angle_beta   123.08
_cell_angle_gamma   73.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdCo
_chemical_formula_sum   'Zr2 Cd1 Co1'
_cell_volume   77.43
_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  0.0  0.49  0.44  1.0
  Zr  Zr3  1  0.86  0.0  0.76  1.0
  Cd  Cd0  1  0.0  0.0  0.19  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_Zr2CdCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.97
_cell_length_c   5.22
_cell_angle_alpha   118.46
_cell_angle_beta   110.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdCo
_chemical_formula_sum   'Zr2 Cd1 Co1'
_cell_volume   77.43
_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  0.76  0.9  1.0
  Zr  Zr1  1  0.51  0.95  0.95  1.0
  Cd  Cd2  1  0.0  0.19  0.19  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Zr Zr Cd Co
Zr Zr Cd Co 0 1 - o - 0 1 - + o 0 3 o + + 0 3 o o o 0 2 o o o 1 3 + o + 2 3 o o o 