data_Ba2MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   7.19
_cell_angle_alpha   142.79
_cell_angle_beta   134.51
_cell_angle_gamma   60.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgBi
_chemical_formula_sum   'Ba2 Mg1 Bi1'
_cell_volume   158.39
_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  0.0  0.78  0.05  1.0
  Ba  Ba1  1  0.0  0.0  0.35  1.0
  Mg  Mg3  1  0.0  0.0  0.76  1.0
  Bi  Bi2  1  0.0  0.78  0.5  1.0

data_Ba2MgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   5.56
_cell_length_c   7.19
_cell_angle_alpha   112.75
_cell_angle_beta   108.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgBi
_chemical_formula_sum   'Ba2 Mg1 Bi1'
_cell_volume   158.39
_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  0.0  0.35  0.35  1.0
  Ba  Ba1  1  0.22  0.27  0.27  1.0
  Mg  Mg2  1  0.0  0.76  0.76  1.0
  Bi  Bi3  1  0.22  0.72  0.72  1.0

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