data_Ba2LaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.95
_cell_length_b   12.95
_cell_length_c   12.95
_cell_angle_alpha   17.85
_cell_angle_beta   17.85
_cell_angle_gamma   17.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaMg
_chemical_formula_sum   'Ba2 La1 Mg1'
_cell_volume   178.03
_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  0.0  0.45  1.0
  Ba  Ba1  1  0.0  0.0  0.76  1.0
  La  La2  1  0.0  0.0  0.1  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0

data_Ba2LaMg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   4.02
_cell_length_c   12.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2LaMg
_chemical_formula_sum   'Ba4 La2 Mg2'
_cell_volume   356.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.24  1.0
  Ba  Ba1  2  0.0  0.0  0.55  1.0
  La  La2  2  0.0  0.0  0.9  1.0
  Mg  Mg3  2  0.0  0.0  0.0  1.0

Ba Ba La Mg
Ba2MgLa crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one Ba(2), six equivalent Ba(1), and one La(1) atom to form a mixture of corner and edge-sharing BaBa7La hexagonal bipyramids. The Ba(1)-Ba(2) bond length is 4.06 Å. All Ba(1)-Ba(1) bond lengths are 4.02 Å. The Ba(1)-La(1) bond length is 4.44 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Ba(1) and one Mg(1) atom. The Ba(2)-Mg(1) bond length is 3.10 Å. Mg(1) is bonded in a distorted single-bond geometry to one Ba(2) and one La(1) atom. The Mg(1)-La(1) bond length is 1.34 Å. La(1) is bonded in a single-bond geometry to one Ba(1) and one Mg(1) atom.