data_Ni2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   121.62
_cell_angle_beta   121.62
_cell_angle_gamma   87.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AgAs
_chemical_formula_sum   'Ni2 Ag1 As1'
_cell_volume   55.5
_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
  Ni  Ni2  1  0.11  0.0  0.56  1.0
  Ni  Ni3  1  0.0  0.11  0.56  1.0
  Ag  Ag0  1  0.0  0.0  0.13  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_Ni2AgAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   133.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2AgAs
_chemical_formula_sum   'Ni4 Ag2 As2'
_cell_volume   111.0
_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
  Ni  Ni0  4  0.49  0.05  0.54  1.0
  Ag  Ag1  2  0.37  0.5  0.87  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Ni Ni Ag As
Ni Ni Ag As 0 1 o o o 2 3 o o o 
(Ni)2Ag(As) is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ag(As) clusters and two Ni clusters. In each Ag(As) cluster, Ag(1) is bonded in a single-bond geometry to one As(1) atom. The Ag(1)-As(1) bond length is 0.55 Å. As(1) is bonded in a single-bond geometry to one Ag(1) atom. In each Ni cluster, Ni(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Ni(1)-Ni(1) bond length is 0.63 Å.