data_Cr2GeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   149.81
_cell_angle_beta   149.81
_cell_angle_gamma   43.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GeP2
_chemical_formula_sum   'Cr2 Ge1 P2'
_cell_volume   65.48
_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  0.0  0.29  1.0
  Cr  Cr1  1  0.0  0.0  0.57  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.66  0.97  1.0
  P  P4  1  0.66  0.0  0.97  1.0

data_Cr2GeP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2GeP2
_chemical_formula_sum   'Cr4 Ge2 P4'
_cell_volume   130.95
_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
  Cr  Cr0  2  0.07  0.5  0.57  1.0
  Cr  Cr1  2  0.29  0.0  0.29  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  P  P3  4  0.13  0.17  0.3  1.0

Cr Cr Ge P P
Cr Cr Ge P P 0 4 - o - 0 3 o - - 0 1 o o o 0 2 o o o 1 4 - o - 1 3 o - - 2 4 - o - 2 3 o - - 
Cr2GeP2 crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in an L-shaped geometry to one Cr(2), one Ge(1), and two equivalent P(1) atoms. The Cr(1)-Cr(2) bond length is 1.83 Å. The Cr(1)-Ge(1) bond length is 1.83 Å. Both Cr(1)-P(1) bond lengths are 1.10 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one Cr(1), one Ge(1), and four equivalent P(1) atoms. The Cr(2)-Ge(1) bond length is 2.71 Å. There are two shorter (2.29 Å) and two longer (2.41 Å) Cr(2)-P(1) bond lengths. Ge(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent P(1) atoms. Both Ge(1)-P(1) bond lengths are 1.97 Å. P(1) is bonded in a single-bond geometry to one Cr(1), two equivalent Cr(2), and one Ge(1) atom.