data_NaCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuBi
_chemical_formula_sum   'Na1 Cu1 Bi1'
_cell_volume   69.97
_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
  Na  Na2  1  0.0  0.0  0.36  1.0
  Cu  Cu1  1  0.0  0.73  0.66  1.0
  Bi  Bi0  1  0.37  0.37  0.59  1.0

data_NaCuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuBi
_chemical_formula_sum   'Na1 Cu1 Bi1'
_cell_volume   69.97
_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
  Na  Na0  1  0.36  0.0  0.0  1.0
  Cu  Cu1  1  0.66  0.0  0.73  1.0
  Bi  Bi2  1  0.59  0.37  0.37  1.0

Na Cu Bi
Na Cu Bi 0 1 o - o 0 2 o o o 