data_NaLiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   147.51
_cell_angle_beta   133.86
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiBi2
_chemical_formula_sum   'Na1 Li1 Bi2'
_cell_volume   109.92
_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  Na3  1  0.84  0.0  0.9  1.0
  Li  Li2  1  0.0  0.0  0.98  1.0
  Bi  Bi0  1  0.0  0.0  0.42  1.0
  Bi  Bi1  1  0.0  0.58  0.8  1.0

data_NaLiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.16
_cell_length_c   6.59
_cell_angle_alpha   113.07
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiBi2
_chemical_formula_sum   'Na1 Li1 Bi2'
_cell_volume   109.92
_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  0.95  0.1  0.95  1.0
  Li  Li1  1  0.02  0.02  0.02  1.0
  Bi  Bi2  1  0.2  0.78  0.78  1.0
  Bi  Bi3  1  0.58  0.58  0.58  1.0

Na Li Bi Bi
Na Li Bi Bi 0 1 + o o 0 3 + - o 1 3 o - o 2 3 o o o 2 3 o - - 