data_Cr2SiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   9.36
_cell_angle_alpha   123.39
_cell_angle_beta   123.39
_cell_angle_gamma   28.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiP2
_chemical_formula_sum   'Cr4 Si2 P4'
_cell_volume   144.14
_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
  Cr  Cr0  1  0.96  0.0  0.56  1.0
  Cr  Cr1  1  0.88  0.0  0.14  1.0
  Cr  Cr2  1  0.52  0.0  0.28  1.0
  Cr  Cr3  1  0.32  0.0  0.42  1.0
  Si  Si8  1  0.0  0.0  0.0  1.0
  Si  Si9  1  0.34  0.0  0.85  1.0
  P  P4  1  0.62  0.0  0.69  1.0
  P  P5  1  0.22  0.0  0.02  1.0
  P  P6  1  0.16  0.0  0.92  1.0
  P  P7  1  0.68  0.0  0.79  1.0

data_Cr2SiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   6.27
_cell_length_c   7.89
_cell_angle_alpha   81.86
_cell_angle_beta   78.75
_cell_angle_gamma   75.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiP2
_chemical_formula_sum   'Cr4 Si2 P4'
_cell_volume   144.14
_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
  Cr  Cr0  1  0.0  0.24  0.28  1.0
  Cr  Cr1  1  0.0  0.39  0.56  1.0
  Cr  Cr2  1  0.0  0.74  0.14  1.0
  Cr  Cr3  1  0.0  0.9  0.42  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.0  0.49  0.85  1.0
  P  P6  1  0.0  0.2  0.02  1.0
  P  P7  1  0.0  0.24  0.92  1.0
  P  P8  1  0.0  0.9  0.79  1.0
  P  P9  1  0.0  0.93  0.69  1.0

Cr Cr Cr Cr Si Si P P P P
Cr Cr Cr Cr Si Si P P P P 0 2 o o o 0 6 o o o 0 0 + - o 0 8 + o o 0 5 + o o 1 4 + o o 1 3 + o o 2 7 o o o 2 3 o o o 3 6 o o o 4 7 o o o 4 8 o o - 5 8 o o o 6 9 o o o 7 8 o o - 
Cr2SiP2 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Cr(3), one Cr(4), two equivalent Cr(1), one Si(2), one P(1), and one P(3) atom. The Cr(1)-Cr(3) bond length is 2.54 Å. The Cr(1)-Cr(4) bond length is 3.20 Å. Both Cr(1)-Cr(1) bond lengths are 3.08 Å. The Cr(1)-Si(2) bond length is 2.44 Å. The Cr(1)-P(1) bond length is 2.90 Å. The Cr(1)-P(3) bond length is 2.82 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Si(1) atom. The Cr(2)-Si(1) bond length is 1.82 Å. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. The Cr(3)-P(2) bond length is 2.15 Å. In the fourth Cr site, Cr(4) is bonded in a distorted single-bond geometry to one Cr(1) and one P(1) atom. The Cr(4)-P(1) bond length is 2.15 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one Cr(2), one P(2), one P(3), and one P(4) atom. The Si(1)-P(2) bond length is 1.29 Å. The Si(1)-P(3) bond length is 1.54 Å. The Si(1)-P(4) bond length is 1.90 Å. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Cr(1), one P(3), and one P(4) atom. The Si(2)-P(3) bond length is 1.60 Å. The Si(2)-P(4) bond length is 2.51 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(4), and one P(4) atom. The P(1)-P(4) bond length is 0.78 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to one Cr(3), one Si(1), and one P(3) atom. The P(2)-P(3) bond length is 0.78 Å. In the third P site, P(3) is bonded in a 2-coordinate geometry to one Cr(1), one Si(1), one Si(2), and one P(2) atom. In the fourth P site, P(4) is bonded in a 3-coordinate geometry to one Si(1), one Si(2), and one P(1) atom.