data_GeBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.45
_cell_angle_alpha   115.67
_cell_angle_beta   115.67
_cell_angle_gamma   28.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBrCl2
_chemical_formula_sum   'Ge1 Br1 Cl2'
_cell_volume   123.44
_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
  Ge  Ge3  1  0.7  0.0  0.64  1.0
  Br  Br0  1  0.06  0.0  0.88  1.0
  Cl  Cl1  1  0.34  0.0  0.33  1.0
  Cl  Cl2  1  0.13  0.0  0.56  1.0

data_GeBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   6.45
_cell_length_c   6.69
_cell_angle_alpha   115.67
_cell_angle_beta   104.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBrCl2
_chemical_formula_sum   'Ge1 Br1 Cl2'
_cell_volume   123.44
_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
  Ge  Ge0  1  0.0  0.64  0.7  1.0
  Br  Br1  1  0.0  0.88  0.06  1.0
  Cl  Cl2  1  0.0  0.33  0.34  1.0
  Cl  Cl3  1  0.0  0.56  0.13  1.0

Ge Br Cl Cl