data_LaCd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   4.99
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Fe
_chemical_formula_sum   'La1 Cd2 Fe1'
_cell_volume   88.63
_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  La3  1  0.12  0.0  0.48  1.0
  Cd  Cd0  1  0.94  0.49  0.91  1.0
  Cd  Cd1  1  0.88  0.49  0.06  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_LaCd2Fe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.58
_cell_length_b   4.99
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   109.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaCd2Fe
_chemical_formula_sum   'La1 Cd2 Fe1'
_cell_volume   88.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.12  0.0  0.48  1.0
  Cd  Cd1  1  0.88  0.5  0.06  1.0
  Cd  Cd2  1  0.94  0.5  0.91  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

La Cd Cd Fe
La Cd Cd Fe 0 3 o o o 0 3 o o + 1 2 o o + 1 3 + + + 1 3 + o + 2 3 + + o 2 3 + o o 
LaFeCd2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 2-coordinate geometry to three equivalent Fe(1) atoms. There are a spread of La(1)-Fe(1) bond distances ranging from 2.44-3.40 Å. Fe(1) is bonded in a 7-coordinate geometry to three equivalent La(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. There is one shorter (2.50 Å) and one longer (2.57 Å) Fe(1)-Cd(1) bond length. There is one shorter (2.54 Å) and one longer (2.61 Å) Fe(1)-Cd(2) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to two equivalent Fe(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.94 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to two equivalent Fe(1) and one Cd(1) atom.