data_ZrCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   148.0
_cell_angle_beta   141.2
_cell_angle_gamma   51.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuBi
_chemical_formula_sum   'Zr1 Cu1 Bi1'
_cell_volume   63.85
_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  0.0  0.27  1.0
  Cu  Cu1  1  0.0  0.0  0.04  1.0
  Bi  Bi0  1  0.0  0.0  0.12  1.0

data_ZrCuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.84
_cell_length_c   5.78
_cell_angle_alpha   109.4
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCuBi
_chemical_formula_sum   'Zr1 Cu1 Bi1'
_cell_volume   63.85
_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  0.73  0.73  0.73  1.0
  Cu  Cu1  1  0.96  0.96  0.96  1.0
  Bi  Bi2  1  0.88  0.88  0.88  1.0

Zr Cu Bi