data_CrGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   140.17
_cell_angle_beta   123.7
_cell_angle_gamma   71.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe3
_chemical_formula_sum   'Cr1 Ge3'
_cell_volume   62.44
_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  0.0  1.0
  Ge  Ge1  1  0.0  0.32  0.03  1.0
  Ge  Ge2  1  0.68  0.0  0.97  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

data_CrGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.65
_cell_length_c   4.92
_cell_angle_alpha   118.15
_cell_angle_beta   109.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGe3
_chemical_formula_sum   'Cr1 Ge3'
_cell_volume   62.44
_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  0.0  1.0
  Ge  Ge1  1  0.71  0.03  0.71  1.0
  Ge  Ge2  1  0.97  0.29  0.29  1.0
  Ge  Ge3  1  1.0  1.0  1.0  1.0

Cr Ge Ge Ge 0 3 o o o 0 1 o o o 0 2 - o - 1 3 o o o 2 3 + o + 