The crystal structure described by LaNiSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Sb(5), two equivalent Sb(1), two equivalent Sb(4), and four equivalent Sb(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one Sb(3), two equivalent Sb(1), two equivalent Sb(4), and four equivalent Sb(2) atoms. Ni(1) is bonded in a 6-coordinate geometry to one La(1), one Sb(1), one Sb(4), two equivalent Sb(3), and two equivalent Sb(5) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ni(1), and one Sb(5) atom. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), and four equivalent Sb(2) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one La(2) and four equivalent Ni(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ni(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 6-coordinate geometry to one La(1), four equivalent Ni(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_LaNiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   12.232
_cell_length_c   13.016
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   997.609
_cell_formula_units_Z   8
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  La0  1  0.223  0.250  0.304  1.0
  La  La1  1  0.750  0.000  0.299  1.0
  La  La2  1  0.250  0.000  0.701  1.0
  La  La3  1  0.250  0.500  0.701  1.0
  La  La4  1  0.750  0.500  0.299  1.0
  La  La5  1  0.277  0.750  0.304  1.0
  La  La6  1  0.723  0.250  0.696  1.0
  La  La7  1  0.777  0.750  0.696  1.0
  Ni  Ni8  1  0.453  0.135  0.094  1.0
  Ni  Ni9  1  0.047  0.635  0.094  1.0
  Ni  Ni10  1  0.453  0.365  0.094  1.0
  Ni  Ni11  1  0.547  0.635  0.906  1.0
  Ni  Ni12  1  0.547  0.865  0.906  1.0
  Ni  Ni13  1  0.953  0.135  0.906  1.0
  Ni  Ni14  1  0.047  0.865  0.094  1.0
  Ni  Ni15  1  0.953  0.365  0.906  1.0
  Sb  Sb16  1  0.277  0.750  0.791  1.0
  Sb  Sb17  1  0.988  0.376  0.503  1.0
  Sb  Sb18  1  0.750  0.500  0.027  1.0
  Sb  Sb19  1  0.250  0.000  0.217  1.0
  Sb  Sb20  1  0.250  0.500  0.973  1.0
  Sb  Sb21  1  0.097  0.250  0.055  1.0
  Sb  Sb22  1  0.597  0.250  0.945  1.0
  Sb  Sb23  1  0.750  0.500  0.783  1.0
  Sb  Sb24  1  0.513  0.624  0.503  1.0
  Sb  Sb25  1  0.488  0.376  0.497  1.0
  Sb  Sb26  1  0.750  1.000  0.783  1.0
  Sb  Sb27  1  0.723  0.250  0.209  1.0
  Sb  Sb28  1  0.512  0.876  0.503  1.0
  Sb  Sb29  1  0.250  0.500  0.217  1.0
  Sb  Sb30  1  0.223  0.250  0.791  1.0
  Sb  Sb31  1  0.903  0.750  0.945  1.0
  Sb  Sb32  1  0.488  0.124  0.497  1.0
  Sb  Sb33  1  0.988  0.124  0.503  1.0
  Sb  Sb34  1  0.013  0.624  0.497  1.0
  Sb  Sb35  1  0.012  0.876  0.497  1.0
  Sb  Sb36  1  0.750  1.000  0.027  1.0
  Sb  Sb37  1  0.403  0.750  0.055  1.0
  Sb  Sb38  1  0.777  0.750  0.209  1.0
  Sb  Sb39  1  0.250  1.000  0.973  1.0
[/CIF]
.
The crystal structure described by LaNiSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Sb(5), two equivalent Sb(1), two equivalent Sb(4), and four equivalent Sb(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one Sb(3), two equivalent Sb(1), two equivalent Sb(4), and four equivalent Sb(2) atoms. Ni(1) is bonded in a 6-coordinate geometry to one La(1), one Sb(1), one Sb(4), two equivalent Sb(3), and two equivalent Sb(5) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent Ni(1), and one Sb(5) atom. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), and four equivalent Sb(2) atoms. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one La(2) and four equivalent Ni(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ni(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 6-coordinate geometry to one La(1), four equivalent Ni(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_LaNiSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   12.232
_cell_length_c   13.016
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   997.609
_cell_formula_units_Z   8
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  La0  1  0.223  0.250  0.304  1.0
  La  La1  1  0.750  0.000  0.299  1.0
  La  La2  1  0.250  0.000  0.701  1.0
  La  La3  1  0.250  0.500  0.701  1.0
  La  La4  1  0.750  0.500  0.299  1.0
  La  La5  1  0.277  0.750  0.304  1.0
  La  La6  1  0.723  0.250  0.696  1.0
  La  La7  1  0.777  0.750  0.696  1.0
  Ni  Ni8  1  0.453  0.135  0.094  1.0
  Ni  Ni9  1  0.047  0.635  0.094  1.0
  Ni  Ni10  1  0.453  0.365  0.094  1.0
  Ni  Ni11  1  0.547  0.635  0.906  1.0
  Ni  Ni12  1  0.547  0.865  0.906  1.0
  Ni  Ni13  1  0.953  0.135  0.906  1.0
  Ni  Ni14  1  0.047  0.865  0.094  1.0
  Ni  Ni15  1  0.953  0.365  0.906  1.0
  Sb  Sb16  1  0.277  0.750  0.791  1.0
  Sb  Sb17  1  0.988  0.376  0.503  1.0
  Sb  Sb18  1  0.750  0.500  0.027  1.0
  Sb  Sb19  1  0.250  0.000  0.217  1.0
  Sb  Sb20  1  0.250  0.500  0.973  1.0
  Sb  Sb21  1  0.097  0.250  0.055  1.0
  Sb  Sb22  1  0.597  0.250  0.945  1.0
  Sb  Sb23  1  0.750  0.500  0.783  1.0
  Sb  Sb24  1  0.513  0.624  0.503  1.0
  Sb  Sb25  1  0.488  0.376  0.497  1.0
  Sb  Sb26  1  0.750  1.000  0.783  1.0
  Sb  Sb27  1  0.723  0.250  0.209  1.0
  Sb  Sb28  1  0.512  0.876  0.503  1.0
  Sb  Sb29  1  0.250  0.500  0.217  1.0
  Sb  Sb30  1  0.223  0.250  0.791  1.0
  Sb  Sb31  1  0.903  0.750  0.945  1.0
  Sb  Sb32  1  0.488  0.124  0.497  1.0
  Sb  Sb33  1  0.988  0.124  0.503  1.0
  Sb  Sb34  1  0.013  0.624  0.497  1.0
  Sb  Sb35  1  0.012  0.876  0.497  1.0
  Sb  Sb36  1  0.750  1.000  0.027  1.0
  Sb  Sb37  1  0.403  0.750  0.055  1.0
  Sb  Sb38  1  0.777  0.750  0.209  1.0
  Sb  Sb39  1  0.250  1.000  0.973  1.0
[/CIF]
.