data_CrNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiGe2
_chemical_formula_sum   'Cr1 Ni1 Ge2'
_cell_volume   54.42
_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  Ni3  1  0.0  0.0  0.74  1.0
  Ge  Ge1  1  0.56  0.0  0.89  1.0
  Ge  Ge2  1  0.56  0.0  0.59  1.0

data_CrNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiGe2
_chemical_formula_sum   'Cr1 Ni1 Ge2'
_cell_volume   54.42
_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  0.0  0.74  1.0
  Ge  Ge2  1  0.56  0.0  0.59  1.0
  Ge  Ge3  1  0.56  0.0  0.89  1.0

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