The material described by Cs7NbIn3As5 crystallizes in the triclinic P-1 space group. There are seven inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Cs(4), two equivalent In(3), one As(1), one As(4), and one As(5) atom. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one In(2), two equivalent In(1), one As(1), one As(2), one As(4), and one As(5) atom. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Cs(4), two equivalent In(2), two equivalent In(3), one As(3), and two equivalent As(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 13-coordinate geometry to one Cs(1), one Cs(3), one Cs(5), one Cs(6), one Nb(1), one In(1), one In(2), one In(3), one As(1), one As(2), one As(3), one As(4), and one As(5) atom. In the fifth Cs site, Cs(5) is bonded in a 1-coordinate geometry to one Cs(4), one As(2), one As(5), and two equivalent As(1) atoms. In the sixth Cs site, Cs(6) is bonded in a 5-coordinate geometry to one Cs(4), one In(1), one As(4), one As(5), and two equivalent As(2) atoms. In the seventh Cs site, Cs(7) is bonded in a 5-coordinate geometry to one In(2), one As(1), one As(5), and two equivalent As(3) atoms. Nb(1) is bonded in a tetrahedral geometry to one Cs(4), one As(1), one As(2), one As(3), and one As(5) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Cs(4), one Cs(6), two equivalent Cs(2), one As(1), one As(2), and one As(4) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(4), one Cs(7), two equivalent Cs(3), one As(2), one As(3), and one As(4) atom. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), one As(1), one As(3), and one As(4) atom. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(7), two equivalent Cs(5), one Nb(1), one In(1), and one In(3) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(6), one Nb(1), one In(1), and one In(2) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Cs(3), one Cs(4), two equivalent Cs(7), one Nb(1), one In(2), and one In(3) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(6), two equivalent Cs(3), one In(1), one In(2), and one In(3) atom. In the fifth As site, As(5) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), one Cs(6), one Cs(7), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs7NbIn3As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.937
_cell_length_b   9.771
_cell_length_c   14.995
_cell_angle_alpha   85.367
_cell_angle_beta   85.506
_cell_angle_gamma   85.992
_symmetry_Int_Tables_number   1
_cell_volume   1298.512
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.830  0.366  0.644  1.0
  Cs  Cs1  1  0.812  0.815  0.131  1.0
  Cs  Cs2  1  0.239  0.009  0.468  1.0
  Cs  Cs3  1  0.270  0.252  0.253  1.0
  Cs  Cs4  1  0.745  0.504  0.975  1.0
  Cs  Cs5  1  0.255  0.496  0.025  1.0
  Cs  Cs6  1  0.688  0.079  0.888  1.0
  Cs  Cs7  1  0.761  0.991  0.532  1.0
  Cs  Cs8  1  0.730  0.748  0.747  1.0
  Cs  Cs9  1  0.317  0.339  0.600  1.0
  Cs  Cs10  1  0.170  0.634  0.356  1.0
  Cs  Cs11  1  0.188  0.185  0.869  1.0
  Cs  Cs12  1  0.312  0.921  0.112  1.0
  Cs  Cs13  1  0.683  0.661  0.400  1.0
  Nb  Nb14  1  0.354  0.606  0.772  1.0
  Nb  Nb15  1  0.646  0.394  0.228  1.0
  In  In16  1  0.065  0.811  0.867  1.0
  In  In17  1  0.935  0.189  0.133  1.0
  In  In18  1  0.364  0.949  0.703  1.0
  In  In19  1  0.093  0.722  0.625  1.0
  In  In20  1  0.907  0.278  0.375  1.0
  In  In21  1  0.636  0.051  0.297  1.0
  As  As22  1  0.916  0.450  0.212  1.0
  As  As23  1  0.621  0.201  0.127  1.0
  As  As24  1  0.084  0.550  0.788  1.0
  As  As25  1  0.591  0.296  0.388  1.0
  As  As26  1  0.409  0.704  0.612  1.0
  As  As27  1  0.042  0.988  0.702  1.0
  As  As28  1  0.513  0.403  0.808  1.0
  As  As29  1  0.487  0.597  0.192  1.0
  As  As30  1  0.379  0.799  0.873  1.0
  As  As31  1  0.958  0.012  0.298  1.0
[/CIF]
.
The material described by Cs7NbIn3As5 crystallizes in the triclinic P-1 space group. There are seven inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Cs(4), two equivalent In(3), one As(1), one As(4), and one As(5) atom. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one In(2), two equivalent In(1), one As(1), one As(2), one As(4), and one As(5) atom. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Cs(4), two equivalent In(2), two equivalent In(3), one As(3), and two equivalent As(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 13-coordinate geometry to one Cs(1), one Cs(3), one Cs(5), one Cs(6), one Nb(1), one In(1), one In(2), one In(3), one As(1), one As(2), one As(3), one As(4), and one As(5) atom. In the fifth Cs site, Cs(5) is bonded in a 1-coordinate geometry to one Cs(4), one As(2), one As(5), and two equivalent As(1) atoms. In the sixth Cs site, Cs(6) is bonded in a 5-coordinate geometry to one Cs(4), one In(1), one As(4), one As(5), and two equivalent As(2) atoms. In the seventh Cs site, Cs(7) is bonded in a 5-coordinate geometry to one In(2), one As(1), one As(5), and two equivalent As(3) atoms. Nb(1) is bonded in a tetrahedral geometry to one Cs(4), one As(1), one As(2), one As(3), and one As(5) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Cs(4), one Cs(6), two equivalent Cs(2), one As(1), one As(2), and one As(4) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(4), one Cs(7), two equivalent Cs(3), one As(2), one As(3), and one As(4) atom. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), one As(1), one As(3), and one As(4) atom. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(7), two equivalent Cs(5), one Nb(1), one In(1), and one In(3) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(6), one Nb(1), one In(1), and one In(2) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Cs(3), one Cs(4), two equivalent Cs(7), one Nb(1), one In(2), and one In(3) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(6), two equivalent Cs(3), one In(1), one In(2), and one In(3) atom. In the fifth As site, As(5) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), one Cs(6), one Cs(7), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs7NbIn3As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.937
_cell_length_b   9.771
_cell_length_c   14.995
_cell_angle_alpha   85.367
_cell_angle_beta   85.506
_cell_angle_gamma   85.992
_symmetry_Int_Tables_number   1
_cell_volume   1298.512
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.830  0.366  0.644  1.0
  Cs  Cs1  1  0.812  0.815  0.131  1.0
  Cs  Cs2  1  0.239  0.009  0.468  1.0
  Cs  Cs3  1  0.270  0.252  0.253  1.0
  Cs  Cs4  1  0.745  0.504  0.975  1.0
  Cs  Cs5  1  0.255  0.496  0.025  1.0
  Cs  Cs6  1  0.688  0.079  0.888  1.0
  Cs  Cs7  1  0.761  0.991  0.532  1.0
  Cs  Cs8  1  0.730  0.748  0.747  1.0
  Cs  Cs9  1  0.317  0.339  0.600  1.0
  Cs  Cs10  1  0.170  0.634  0.356  1.0
  Cs  Cs11  1  0.188  0.185  0.869  1.0
  Cs  Cs12  1  0.312  0.921  0.112  1.0
  Cs  Cs13  1  0.683  0.661  0.400  1.0
  Nb  Nb14  1  0.354  0.606  0.772  1.0
  Nb  Nb15  1  0.646  0.394  0.228  1.0
  In  In16  1  0.065  0.811  0.867  1.0
  In  In17  1  0.935  0.189  0.133  1.0
  In  In18  1  0.364  0.949  0.703  1.0
  In  In19  1  0.093  0.722  0.625  1.0
  In  In20  1  0.907  0.278  0.375  1.0
  In  In21  1  0.636  0.051  0.297  1.0
  As  As22  1  0.916  0.450  0.212  1.0
  As  As23  1  0.621  0.201  0.127  1.0
  As  As24  1  0.084  0.550  0.788  1.0
  As  As25  1  0.591  0.296  0.388  1.0
  As  As26  1  0.409  0.704  0.612  1.0
  As  As27  1  0.042  0.988  0.702  1.0
  As  As28  1  0.513  0.403  0.808  1.0
  As  As29  1  0.487  0.597  0.192  1.0
  As  As30  1  0.379  0.799  0.873  1.0
  As  As31  1  0.958  0.012  0.298  1.0
[/CIF]
.