data_Na2MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   127.01
_cell_angle_beta   127.01
_cell_angle_gamma   78.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgBi
_chemical_formula_sum   'Na2 Mg1 Bi1'
_cell_volume   109.83
_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  0.51  0.18  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.36  1.0
  Bi  Bi0  1  0.51  0.0  0.18  1.0

data_Na2MgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.62
_cell_angle_alpha   116.5
_cell_angle_beta   116.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgBi
_chemical_formula_sum   'Na2 Mg1 Bi1'
_cell_volume   109.83
_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  0.0  0.0  1.0
  Na  Na1  1  0.67  0.18  0.67  1.0
  Mg  Mg2  1  0.36  0.36  0.36  1.0
  Bi  Bi3  1  0.18  0.67  0.67  1.0

Na Na Mg Bi