data_MnGeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.43
_cell_length_c   2.99
_cell_angle_alpha   84.8
_cell_angle_beta   72.64
_cell_angle_gamma   22.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeCl
_chemical_formula_sum   'Mn1 Ge1 Cl1'
_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
  Mn  Mn2  1  0.42  0.63  1.0  1.0
  Ge  Ge1  1  0.42  0.63  0.2  1.0
  Cl  Cl0  1  0.42  0.63  0.98  1.0

data_MnGeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.84
_cell_length_b   14.59
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   118.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGeCl
_chemical_formula_sum   'Mn2 Ge2 Cl2'
_cell_volume   108.84
_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
  Mn  Mn0  2  0.5  0.5  0.42  1.0
  Ge  Ge1  2  0.2  0.0  0.61  1.0
  Cl  Cl2  2  0.48  0.5  0.4  1.0

Mn Ge Cl
Mn Ge Cl 0 2 o o o 0 1 o o + 1 2 o o - 