data_NiGe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   27.15
_cell_angle_beta   27.15
_cell_angle_gamma   27.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Cl
_chemical_formula_sum   'Ni1 Ge2 Cl1'
_cell_volume   72.52
_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
  Ni  Ni3  1  0.0  0.0  0.59  1.0
  Ge  Ge1  1  0.0  0.0  0.91  1.0
  Ge  Ge2  1  0.0  0.0  0.27  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NiGe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiGe2Cl
_chemical_formula_sum   'Ni2 Ge4 Cl2'
_cell_volume   145.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.41  1.0
  Ge  Ge1  2  0.0  0.0  0.09  1.0
  Ge  Ge2  2  0.0  0.0  0.73  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ni Ge Ge Cl
Ni Ge Ge Cl 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 