data_ReAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2As
_chemical_formula_sum   'Re1 Ag2 As1'
_cell_volume   68.96
_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
  Re  Re3  1  0.0  0.0  0.78  1.0
  Ag  Ag0  1  0.63  0.0  0.12  1.0
  Ag  Ag1  1  0.63  0.0  0.44  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_ReAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAg2As
_chemical_formula_sum   'Re1 Ag2 As1'
_cell_volume   68.96
_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
  Re  Re0  1  0.0  0.0  0.78  1.0
  Ag  Ag1  1  0.63  0.0  0.12  1.0
  Ag  Ag2  1  0.63  0.0  0.44  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Re Ag Ag As
Re Ag Ag As 0 0 o + o 0 0 + o o 0 3 o o + 1 3 + o o 1 2 o o o 2 2 + + o 2 2 o + o 2 2 + o o 
ReAg2As crystallizes in the triclinic P1 space group. Re(1) is bonded in a single-bond geometry to one Ag(2) and one As(1) atom. The Re(1)-Ag(2) bond length is 3.40 Å. The Re(1)-As(1) bond length is 2.14 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted water-like geometry to one Ag(2) and two equivalent As(1) atoms. The Ag(1)-Ag(2) bond length is 3.07 Å. There is one shorter (1.50 Å) and one longer (2.05 Å) Ag(1)-As(1) bond length. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to one Re(1), one Ag(1), and four equivalent Ag(2) atoms. All Ag(2)-Ag(2) bond lengths are 2.75 Å. As(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Ag(1) atoms.