data_BaMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.36
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgBi2
_chemical_formula_sum   'Ba1 Mg1 Bi2'
_cell_volume   139.14
_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
  Ba  Ba0  1  0.83  0.68  0.66  1.0
  Mg  Mg3  1  0.0  0.0  0.94  1.0
  Bi  Bi1  1  0.0  0.0  0.98  1.0
  Bi  Bi2  1  0.83  0.68  0.21  1.0

data_BaMgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.36
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgBi2
_chemical_formula_sum   'Ba1 Mg1 Bi2'
_cell_volume   139.14
_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
  Ba  Ba0  1  0.83  0.68  0.66  1.0
  Mg  Mg1  1  0.0  0.0  0.94  1.0
  Bi  Bi2  1  0.0  0.0  0.98  1.0
  Bi  Bi3  1  0.83  0.68  0.21  1.0

Ba Mg Bi Bi
Ba Mg Bi Bi 0 3 o o o 0 2 + + o 0 1 + + o 1 2 o o o 1 3 - - + 2 3 - - + 