data_ZrCd2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.6
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Cu
_chemical_formula_sum   'Zr1 Cd2 Cu1'
_cell_volume   77.5
_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  0.85  0.0  0.87  1.0
  Cd  Cd0  1  0.47  0.3  0.41  1.0
  Cd  Cd1  1  0.23  0.3  0.33  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_ZrCd2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.6
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Cu
_chemical_formula_sum   'Zr1 Cd2 Cu1'
_cell_volume   77.5
_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  0.85  0.0  0.87  1.0
  Cd  Cd1  1  0.23  0.3  0.33  1.0
  Cd  Cd2  1  0.47  0.3  0.41  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Zr Cd Cd Cu