data_LaMg2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   5.31
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Ta
_chemical_formula_sum   'La1 Mg2 Ta1'
_cell_volume   93.95
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.71  0.65  0.66  1.0
  Mg  Mg2  1  0.8  0.65  0.29  1.0
  Ta  Ta3  1  0.75  0.0  0.97  1.0

data_LaMg2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.31
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   103.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Ta
_chemical_formula_sum   'La1 Mg2 Ta1'
_cell_volume   93.95
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.71  0.65  0.66  1.0
  Mg  Mg2  1  0.8  0.65  0.29  1.0
  Ta  Ta3  1  0.75  0.0  0.97  1.0

La Mg Mg Ta
La Mg Mg Ta 0 3 - o - 0 1 - - - 0 2 - - o 1 1 + o o 1 2 o o o 1 3 o + o 2 3 o + - 2 2 + o o 
Mg2LaTa crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), one La(1), and one Ta(1) atom. Both Mg(1)-Mg(1) bond lengths are 2.98 Å. There is one shorter (2.36 Å) and one longer (3.10 Å) Mg(1)-Mg(2) bond length. The Mg(1)-La(1) bond length is 2.76 Å. The Mg(1)-Ta(1) bond length is 2.64 Å. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), three equivalent La(1), and one Ta(1) atom. Both Mg(2)-Mg(2) bond lengths are 2.98 Å. There are a spread of Mg(2)-La(1) bond distances ranging from 2.71-3.99 Å. The Mg(2)-Ta(1) bond length is 2.64 Å. La(1) is bonded in a distorted single-bond geometry to one Mg(1), three equivalent Mg(2), and one Ta(1) atom. The La(1)-Ta(1) bond length is 0.71 Å. Ta(1) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), and one La(1) atom.