data_BeGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   126.83
_cell_angle_beta   126.83
_cell_angle_gamma   78.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeCl2
_chemical_formula_sum   'Be1 Ge1 Cl2'
_cell_volume   77.61
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.87  1.0
  Cl  Cl1  1  0.24  0.0  0.94  1.0
  Cl  Cl2  1  0.0  0.24  0.94  1.0

data_BeGeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   129.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGeCl2
_chemical_formula_sum   'Be2 Ge2 Cl4'
_cell_volume   155.22
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.13  0.0  0.13  1.0
  Cl  Cl2  4  0.18  0.12  0.3  1.0

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