data_VGe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   24.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2Br
_chemical_formula_sum   'V1 Ge2 Br1'
_cell_volume   89.72
_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
  V  V3  1  0.0  0.0  0.58  1.0
  Ge  Ge1  1  0.0  0.0  0.3  1.0
  Ge  Ge2  1  0.59  0.0  0.59  1.0
  Br  Br0  1  0.59  0.0  0.7  1.0

data_VGe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.49
_cell_length_c   8.29
_cell_angle_alpha   102.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGe2Br
_chemical_formula_sum   'V1 Ge2 Br1'
_cell_volume   89.72
_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
  V  V0  1  0.0  0.58  0.58  1.0
  Ge  Ge1  1  0.0  0.3  0.3  1.0
  Ge  Ge2  1  0.41  0.59  0.59  1.0
  Br  Br3  1  0.41  0.7  0.7  1.0

V Ge Ge Br