data_CrAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAs2P
_chemical_formula_sum   'Cr1 As2 P1'
_cell_volume   66.65
_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
  Cr  Cr2  1  0.78  0.0  0.0  1.0
  As  As0  1  0.39  0.79  0.68  1.0
  As  As1  1  0.39  0.21  0.68  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CrAs2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   104.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAs2P
_chemical_formula_sum   'Cr1 As2 P1'
_cell_volume   66.65
_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
  Cr  Cr0  1  0.0  0.78  0.0  1.0
  As  As1  1  0.68  0.39  0.79  1.0
  As  As2  1  0.68  0.39  0.21  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cr As As P
Cr As As P 0 3 + o o 0 1 o - - 1 2 o + o 2 3 o o + 
CrAs2P crystallizes in the triclinic P1 space group. Cr(1) is bonded in a 1-coordinate geometry to two equivalent As(1), two equivalent As(2), and one P(1) atom. There is one shorter (2.10 Å) and one longer (2.90 Å) Cr(1)-As(1) bond length. There is one shorter (2.47 Å) and one longer (3.18 Å) Cr(1)-As(2) bond length. The Cr(1)-P(1) bond length is 0.99 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent As(2), and one P(1) atom. There is one shorter (1.94 Å) and one longer (2.58 Å) As(1)-As(2) bond length. The As(1)-P(1) bond length is 2.47 Å. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent As(1), and two equivalent P(1) atoms. There is one shorter (2.10 Å) and one longer (2.90 Å) As(2)-P(1) bond length. P(1) is bonded in a single-bond geometry to one Cr(1), one As(1), and two equivalent As(2) atoms.