data_NaMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   5.6
_cell_angle_alpha   109.04
_cell_angle_beta   109.04
_cell_angle_gamma   32.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgBi2
_chemical_formula_sum   'Na1 Mg1 Bi2'
_cell_volume   112.53
_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  0.47  0.0  0.48  1.0
  Mg  Mg2  1  0.32  0.0  0.15  1.0
  Bi  Bi0  1  0.43  0.0  0.65  1.0
  Bi  Bi1  1  0.46  0.0  0.88  1.0

data_NaMgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.6
_cell_length_c   6.34
_cell_angle_alpha   109.04
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgBi2
_chemical_formula_sum   'Na1 Mg1 Bi2'
_cell_volume   112.53
_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  0.48  0.47  1.0
  Mg  Mg1  1  0.0  0.15  0.32  1.0
  Bi  Bi2  1  0.0  0.65  0.43  1.0
  Bi  Bi3  1  0.0  0.88  0.46  1.0

Na Mg Bi Bi