data_LaFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeTe2
_chemical_formula_sum   'La1 Fe1 Te2'
_cell_volume   104.89
_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  La1  1  0.69  0.69  0.49  1.0
  Fe  Fe0  1  0.0  0.0  0.35  1.0
  Te  Te2  1  0.0  0.0  0.87  1.0
  Te  Te3  1  0.69  0.69  0.19  1.0

data_LaFeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaFeTe2
_chemical_formula_sum   'La2 Fe2 Te4'
_cell_volume   209.77
_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  0.19  0.5  0.49  1.0
  Fe  Fe1  2  0.0  0.0  0.35  1.0
  Te  Te2  2  0.0  0.0  0.87  1.0
  Te  Te3  2  0.19  0.5  0.19  1.0

La Fe Te Te
La Fe Te Te 0 1 + + o 0 2 + + o 1 3 - - o 2 3 - - + 2 3 - o + 2 3 o - + 2 2 + o o 2 2 o + o 
LaFeTe2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Te(1) atom. The La(1)-Fe(1) bond length is 1.99 Å. The La(1)-Te(1) bond length is 3.78 Å. Fe(1) is bonded in a 2-coordinate geometry to one La(1) and one Te(2) atom. The Fe(1)-Te(2) bond length is 2.05 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one La(1), one Te(2), and four equivalent Te(1) atoms. The Te(1)-Te(2) bond length is 3.29 Å. All Te(1)-Te(1) bond lengths are 3.38 Å. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Fe(1) and one Te(1) atom.