data_Mg2GeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   5.35
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeCl
_chemical_formula_sum   'Mg2 Ge1 Cl1'
_cell_volume   82.75
_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  Mg2  1  0.27  0.67  0.36  1.0
  Mg  Mg3  1  0.0  0.0  0.11  1.0
  Ge  Ge1  1  0.27  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.67  0.24  1.0

data_Mg2GeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.55
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeCl
_chemical_formula_sum   'Mg2 Ge1 Cl1'
_cell_volume   82.75
_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  0.11  0.0  0.0  1.0
  Mg  Mg1  1  0.36  0.27  0.67  1.0
  Ge  Ge2  1  0.81  0.27  0.0  1.0
  Cl  Cl3  1  0.24  -0.0  0.67  1.0

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