data_La2MgTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgTa
_chemical_formula_sum   'La2 Mg1 Ta1'
_cell_volume   109.14
_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
  La  La0  1  0.8  0.74  0.68  1.0
  La  La1  1  0.8  0.26  0.68  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.6  0.0  0.0  1.0

data_La2MgTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   102.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgTa
_chemical_formula_sum   'La2 Mg1 Ta1'
_cell_volume   109.14
_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
  La  La0  1  0.68  0.8  0.26  1.0
  La  La1  1  0.68  0.8  0.74  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.6  0.0  1.0

La La Mg Ta
La La Mg Ta 0 3 o + + 0 2 + + + 1 3 o o + 1 2 + o + 2 3 - o o 
MgLa2Ta crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ta(1) atoms. There is one shorter (2.00 Å) and one longer (2.81 Å) Mg(1)-La(1) bond length. There is one shorter (2.35 Å) and one longer (3.08 Å) Mg(1)-La(2) bond length. There is one shorter (2.29 Å) and one longer (3.49 Å) Mg(1)-Ta(1) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one La(2), and two equivalent Ta(1) atoms. The La(1)-La(2) bond length is 2.77 Å. There is one shorter (2.35 Å) and one longer (3.08 Å) La(1)-Ta(1) bond length. In the second La site, La(2) is bonded in a 1-coordinate geometry to two equivalent Mg(1), one La(1), and one Ta(1) atom. The La(2)-Ta(1) bond length is 2.00 Å. Ta(1) is bonded in a 1-coordinate geometry to two equivalent Mg(1), one La(2), and two equivalent La(1) atoms.