data_Zr2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   135.09
_cell_angle_beta   135.09
_cell_angle_gamma   65.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdNi
_chemical_formula_sum   'Zr2 Cd1 Ni1'
_cell_volume   76.43
_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  0.05  0.0  0.26  1.0
  Zr  Zr3  1  0.0  0.0  0.53  1.0
  Cd  Cd0  1  0.0  0.05  0.26  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Zr2CdNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.38
_cell_angle_alpha   112.46
_cell_angle_beta   112.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdNi
_chemical_formula_sum   'Zr2 Cd1 Ni1'
_cell_volume   76.43
_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  0.26  0.21  0.21  1.0
  Zr  Zr1  1  0.53  0.53  0.53  1.0
  Cd  Cd2  1  0.21  0.26  0.21  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Zr Zr Cd Ni