data_CdNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.01
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiGe2
_chemical_formula_sum   'Cd1 Ni1 Ge2'
_cell_volume   67.16
_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
  Cd  Cd0  1  0.99  0.0  0.11  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.99  0.01  0.0  1.0
  Ge  Ge2  1  0.0  0.01  0.11  1.0

data_CdNiGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   4.01
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdNiGe2
_chemical_formula_sum   'Cd1 Ni1 Ge2'
_cell_volume   67.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y+965/977, x+12/977, z'
  3  '-x+953/977, -y, z'
  4  'y+965/977, -x+965/977, z'
  5  '-x+953/977, y, z'
  6  'y+965/977, x+12/977, z'
  7  'x, -y, z'
  8  '-y+965/977, -x+965/977, 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
  Cd  Cd0  1  0.99  0.0  0.11  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.11  1.0
  Ge  Ge3  1  0.99  0.0  0.0  1.0

Cd Ni Ge Ge