data_LaCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   130.86
_cell_angle_beta   130.86
_cell_angle_gamma   72.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCdAs2
_chemical_formula_sum   'La1 Cd1 As2'
_cell_volume   95.59
_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  0.0  0.0  0.49  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.31  0.0  0.24  1.0
  As  As1  1  0.0  0.31  0.24  1.0

data_LaCdAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   126.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCdAs2
_chemical_formula_sum   'La2 Cd2 As4'
_cell_volume   191.17
_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  0.01  0.5  0.51  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  As  As2  4  0.41  0.35  0.06  1.0

La Cd As As
LaCdAs2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 6-coordinate geometry to two equivalent Cd(1) and four equivalent As(1) atoms. There is one shorter (2.71 Å) and one longer (2.84 Å) La(1)-Cd(1) bond length. There are two shorter (2.79 Å) and two longer (3.13 Å) La(1)-As(1) bond lengths. Cd(1) is bonded in a water-like geometry to two equivalent La(1) and two equivalent As(1) atoms. Both Cd(1)-As(1) bond lengths are 1.31 Å. As(1) is bonded in a single-bond geometry to two equivalent La(1) and one Cd(1) atom.