data_Cr2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiGe
_chemical_formula_sum   'Cr2 Ni1 Ge1'
_cell_volume   49.41
_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  0.52  0.0  0.69  1.0
  Cr  Cr1  1  0.0  0.0  0.85  1.0
  Ni  Ni3  1  0.0  0.0  0.92  1.0
  Ge  Ge2  1  0.52  0.0  0.83  1.0

data_Cr2NiGe
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.6
_cell_length_b   7.72
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Cr2NiGe
_chemical_formula_sum   'Cr2 Ni1 Ge1'
_cell_volume   49.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.15  0.0  1.0
  Cr  Cr1  1  0.5  0.31  0.0  1.0
  Ni  Ni2  1  0.0  0.08  0.0  1.0
  Ge  Ge3  1  0.5  0.17  0.0  1.0

Cr Cr Ni Ge