data_NbZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   122.26
_cell_angle_beta   122.26
_cell_angle_gamma   86.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnCu2
_chemical_formula_sum   'Nb1 Zn1 Cu2'
_cell_volume   55.99
_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
  Nb  Nb2  1  0.1  0.0  0.59  1.0
  Zn  Zn3  1  0.0  0.0  0.18  1.0
  Cu  Cu0  1  0.0  0.1  0.59  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_NbZnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.35
_cell_angle_alpha   118.87
_cell_angle_beta   118.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnCu2
_chemical_formula_sum   'Nb1 Zn1 Cu2'
_cell_volume   55.99
_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
  Nb  Nb0  1  0.41  0.0  0.51  1.0
  Zn  Zn1  1  0.82  0.0  0.82  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.51  0.1  0.51  1.0

Nb Zn Cu Cu
Nb Zn Cu Cu 0 2 o o o 1 3 o o o 