data_Na2LiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   120.99
_cell_angle_beta   120.99
_cell_angle_gamma   88.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiBi
_chemical_formula_sum   'Na2 Li1 Bi1'
_cell_volume   98.66
_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  0.57  0.0  0.87  1.0
  Na  Na3  1  0.0  0.0  0.74  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.57  0.87  1.0

data_Na2LiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.21
_cell_angle_alpha   119.51
_cell_angle_beta   119.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiBi
_chemical_formula_sum   'Na2 Li1 Bi1'
_cell_volume   98.66
_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  0.74  0.74  0.74  1.0
  Na  Na1  1  0.87  0.3  0.3  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.3  0.87  0.3  1.0

Na Na Li Bi