data_Al2VRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.79
_cell_angle_alpha   102.57
_cell_angle_beta   102.57
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VRh
_chemical_formula_sum   'Al2 V1 Rh1'
_cell_volume   57.37
_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  0.32  0.0  0.47  1.0
  Al  Al1  1  0.37  0.0  0.19  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.84  0.0  0.33  1.0

data_Al2VRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.61
_cell_length_c   4.79
_cell_angle_alpha   102.57
_cell_angle_beta   90.0
_cell_angle_gamma   107.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VRh
_chemical_formula_sum   'Al2 V1 Rh1'
_cell_volume   57.37
_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  0.63  0.81  1.0
  Al  Al1  1  0.0  0.68  0.53  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.16  0.67  1.0

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