data_NaCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   141.32
_cell_angle_beta   130.7
_cell_angle_gamma   64.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuBi
_chemical_formula_sum   'Na1 Cu1 Bi1'
_cell_volume   67.12
_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  0.95  1.0
  Cu  Cu1  1  0.0  0.0  0.89  1.0
  Bi  Bi0  1  0.0  0.0  0.03  1.0

data_NaCuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.37
_cell_length_c   5.24
_cell_angle_alpha   114.65
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuBi
_chemical_formula_sum   'Na1 Cu1 Bi1'
_cell_volume   67.12
_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  0.0  0.95  0.95  1.0
  Cu  Cu1  1  0.0  0.89  0.89  1.0
  Bi  Bi2  1  0.0  0.03  0.03  1.0

Na Cu Bi