data_MgGe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Cl
_chemical_formula_sum   'Mg1 Ge2 Cl1'
_cell_volume   90.55
_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
  Mg  Mg3  1  0.0  0.0  0.45  1.0
  Ge  Ge1  1  0.0  0.0  0.27  1.0
  Ge  Ge2  1  0.92  0.0  0.52  1.0
  Cl  Cl0  1  0.92  0.0  0.92  1.0

data_MgGe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Cl
_chemical_formula_sum   'Mg1 Ge2 Cl1'
_cell_volume   90.55
_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
  Mg  Mg0  1  0.0  0.0  0.45  1.0
  Ge  Ge1  1  0.0  0.0  0.27  1.0
  Ge  Ge2  1  0.92  0.0  0.52  1.0
  Cl  Cl3  1  0.92  0.0  0.92  1.0

Mg Ge Ge Cl
Mg Ge Ge Cl 0 2 - o o 0 1 o o o 1 3 - o - 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 