data_GeMoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   154.71
_cell_angle_beta   146.81
_cell_angle_gamma   42.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoBr2
_chemical_formula_sum   'Ge1 Mo1 Br2'
_cell_volume   93.65
_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  Ge2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.88  1.0
  Br  Br0  1  0.61  0.0  0.7  1.0
  Br  Br1  1  0.0  0.11  0.18  1.0

data_GeMoBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.21
_cell_length_c   7.38
_cell_angle_alpha   106.6
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoBr2
_chemical_formula_sum   'Ge1 Mo1 Br2'
_cell_volume   93.65
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.88  0.88  1.0
  Br  Br2  1  0.0  0.7  0.09  1.0
  Br  Br3  1  0.89  0.07  0.07  1.0

Ge Mo Br Br