data_LaTaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaFe2
_chemical_formula_sum   'La1 Ta1 Fe2'
_cell_volume   68.67
_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  La2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.54  1.0
  Fe  Fe0  1  0.56  0.56  0.93  1.0
  Fe  Fe1  1  0.56  0.56  0.16  1.0

data_LaTaFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTaFe2
_chemical_formula_sum   'La2 Ta2 Fe4'
_cell_volume   137.35
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.54  1.0
  Fe  Fe2  2  0.06  0.5  0.16  1.0
  Fe  Fe3  2  0.06  0.5  0.93  1.0

La Ta Fe Fe
LaTaFe2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 9-coordinate geometry to one Ta(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. The La(1)-Ta(1) bond length is 3.23 Å. There are a spread of La(1)-Fe(1) bond distances ranging from 2.02-2.50 Å. There are a spread of La(1)-Fe(2) bond distances ranging from 2.26-2.70 Å. Ta(1) is bonded in a 13-coordinate geometry to one La(1), four equivalent Ta(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. All Ta(1)-Ta(1) bond lengths are 3.11 Å. There are a spread of Ta(1)-Fe(1) bond distances ranging from 3.35-3.66 Å. There are a spread of Ta(1)-Fe(2) bond distances ranging from 3.35-3.66 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to four equivalent La(1), four equivalent Ta(1), and one Fe(2) atom. The Fe(1)-Fe(2) bond length is 1.64 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to four equivalent La(1), four equivalent Ta(1), and one Fe(1) atom.