data_CrNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.61
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Ge
_chemical_formula_sum   'Cr1 Ni2 Ge1'
_cell_volume   47.23
_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
  Ni  Ni2  1  0.74  0.0  0.87  1.0
  Ni  Ni3  1  0.0  0.81  0.87  1.0
  Ge  Ge1  1  0.74  0.81  0.0  1.0

data_CrNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.61
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2Ge
_chemical_formula_sum   'Cr1 Ni2 Ge1'
_cell_volume   47.23
_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
  Ni  Ni1  1  0.0  0.81  0.87  1.0
  Ni  Ni2  1  0.74  0.0  0.87  1.0
  Ge  Ge3  1  0.74  0.81  -0.0  1.0

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