data_AlV2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.7
_cell_angle_alpha   103.44
_cell_angle_beta   103.44
_cell_angle_gamma   35.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Br
_chemical_formula_sum   'Al1 V2 Br1'
_cell_volume   62.1
_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
  Al  Al0  1  0.03  0.0  0.51  1.0
  V  V2  1  0.01  0.0  0.17  1.0
  V  V3  1  0.46  0.0  0.26  1.0
  Br  Br1  1  0.61  0.0  0.89  1.0

data_AlV2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.7
_cell_length_c   4.84
_cell_angle_alpha   103.44
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Br
_chemical_formula_sum   'Al1 V2 Br1'
_cell_volume   62.1
_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
  Al  Al0  1  0.0  0.51  0.03  1.0
  V  V1  1  0.0  0.17  0.01  1.0
  V  V2  1  0.0  0.26  0.46  1.0
  Br  Br3  1  0.0  0.89  0.61  1.0

Al V V Br
Al V V Br 0 1 o o o 1 2 o o o 1 3 - o - 2 3 o o - 