data_CaGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.95
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeAs2
_chemical_formula_sum   'Ca1 Ge1 As2'
_cell_volume   88.35
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.95  1.0
  As  As0  1  0.89  0.98  0.23  1.0
  As  As1  1  0.89  0.98  0.68  1.0

data_CaGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.95
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeAs2
_chemical_formula_sum   'Ca1 Ge1 As2'
_cell_volume   88.35
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.95  1.0
  As  As2  1  0.89  0.98  0.23  1.0
  As  As3  1  0.89  0.98  0.68  1.0

Ca Ge As As
Ca Ge As As 0 1 o o - 0 2 - - o 0 3 - - - 1 2 - - + 1 3 - - o 
CaGeAs2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaGeAs2 cluster. Ca(1) is bonded in a distorted linear geometry to one Ge(1) and one As(1) atom. The Ca(1)-Ge(1) bond length is 0.28 Å. The Ca(1)-As(1) bond length is 1.40 Å. Ge(1) is bonded in a single-bond geometry to one Ca(1) and one As(2) atom. The Ge(1)-As(2) bond length is 1.67 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Ge(1) atom.