data_BaMgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   138.13
_cell_angle_beta   134.47
_cell_angle_gamma   63.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgBi2
_chemical_formula_sum   'Ba1 Mg1 Bi2'
_cell_volume   134.27
_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  0.55  0.81  1.0
  Mg  Mg3  1  0.0  0.0  0.43  1.0
  Bi  Bi1  1  0.0  0.0  0.13  1.0
  Bi  Bi2  1  0.35  0.0  0.82  1.0

data_BaMgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   5.1
_cell_length_c   6.59
_cell_angle_alpha   112.76
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgBi2
_chemical_formula_sum   'Ba1 Mg1 Bi2'
_cell_volume   134.27
_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  0.45  0.26  0.26  1.0
  Mg  Mg1  1  0.0  0.43  0.43  1.0
  Bi  Bi2  1  0.0  0.13  0.13  1.0
  Bi  Bi3  1  0.0  0.82  0.47  1.0

Ba Mg Bi Bi