data_Zr2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55
_cell_length_b   8.55
_cell_length_c   8.55
_cell_angle_alpha   21.85
_cell_angle_beta   21.85
_cell_angle_gamma   21.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrGe
_chemical_formula_sum   'Zr2 Cr1 Ge1'
_cell_volume   75.83
_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
  Zr  Zr2  1  0.0  0.0  0.63  1.0
  Zr  Zr3  1  0.0  0.0  0.4  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.51  1.0

data_Zr2CrGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2CrGe
_chemical_formula_sum   'Zr4 Cr2 Ge2'
_cell_volume   151.66
_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
  Zr  Zr0  2  0.0  0.0  0.37  1.0
  Zr  Zr1  2  0.0  0.0  0.6  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.49  1.0

Zr Zr Cr Ge
Zr2CrGe crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Cr(1) and one Ge(1) atom. The Zr(1)-Cr(1) bond length is 3.19 Å. The Zr(1)-Ge(1) bond length is 0.98 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Cr(1) and one Ge(1) atom. The Zr(2)-Cr(1) bond length is 3.39 Å. The Zr(2)-Ge(1) bond length is 0.98 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Zr(1); one Zr(2); and six Cr(1,1) atoms to form a mixture of distorted edge and corner-sharing CrZr2Cr6 hexagonal bipyramids. All Cr(1)-Cr(1,1) bond lengths are 3.24 Å. In the second Cr site, Cr(1) is bonded to one Zr(1); one Zr(2); and six Cr(1,1) atoms to form a mixture of distorted edge and corner-sharing CrZr2Cr6 hexagonal bipyramids. The Cr(1)-Zr(1) bond length is 3.19 Å. The Cr(1)-Zr(2) bond length is 3.39 Å. Both Cr(1)-Cr(1) bond lengths are 3.24 Å. Ge(1) is bonded in a linear geometry to one Zr(1) and one Zr(2) atom.