data_AlV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   134.54
_cell_angle_beta   134.54
_cell_angle_gamma   66.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Bi
_chemical_formula_sum   'Al1 V2 Bi1'
_cell_volume   67.78
_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  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.3  1.0
  V  V3  1  0.0  0.98  0.15  1.0
  Bi  Bi1  1  0.98  0.0  0.15  1.0

data_AlV2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   123.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlV2Bi
_chemical_formula_sum   'Al2 V4 Bi2'
_cell_volume   135.56
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.3  1.0
  V  V2  2  0.01  0.0  0.17  1.0
  Bi  Bi3  2  0.01  0.0  0.17  1.0

Al V V Bi
Al V V Bi 0 3 - o o 0 2 o - o 1 3 - o o 1 2 o - o 2 3 - + o 