data_LaZrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrCo2
_chemical_formula_sum   'La1 Zr1 Co2'
_cell_volume   73.73
_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  0.5  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.62  0.62  0.42  1.0
  Co  Co1  1  0.62  0.62  0.58  1.0

data_LaZrCo2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   6.99
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   LaZrCo2
_chemical_formula_sum   'La2 Zr2 Co4'
_cell_volume   147.46
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Zr  Zr1  2  0.5  0.0  0.0  1.0
  Co  Co2  4  0.08  0.0  0.62  1.0

La Zr Co Co
La Zr Co Co 0 2 - - o 0 3 - - o 0 1 o o + 0 1 o o o 1 3 - - - 1 3 - o - 1 3 o - - 1 2 - - o 1 2 - o o 1 2 o - o 1 1 + o o 1 1 o + o 2 3 o o o 
LaZrCo2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1), one Co(1), and one Co(2) atom. There is one shorter (3.48 Å) and one longer (3.52 Å) La(1)-Zr(1) bond length. The La(1)-Co(1) bond length is 1.82 Å. The La(1)-Co(2) bond length is 1.82 Å. Zr(1) is bonded to two equivalent La(1), four equivalent Zr(1), three equivalent Co(1), and three equivalent Co(2) atoms to form a mixture of distorted edge, corner, and face-sharing ZrLa2Zr4Co6 cuboctahedra. All Zr(1)-Zr(1) bond lengths are 3.25 Å. There is one shorter (3.39 Å) and two longer (3.76 Å) Zr(1)-Co(1) bond lengths. There is one shorter (3.43 Å) and two longer (3.79 Å) Zr(1)-Co(2) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one La(1), three equivalent Zr(1), and one Co(2) atom. The Co(1)-Co(2) bond length is 1.12 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one La(1), three equivalent Zr(1), and one Co(1) atom.