data_Al2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   4.06
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VCr
_chemical_formula_sum   'Al2 V1 Cr1'
_cell_volume   54.22
_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  0.12  0.03  0.31  1.0
  Al  Al1  1  0.5  0.03  0.81  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.5  0.0  0.56  1.0

data_Al2VCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.06
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VCr
_chemical_formula_sum   'Al2 V1 Cr1'
_cell_volume   54.22
_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  0.12  0.03  0.31  1.0
  Al  Al1  1  0.5  0.03  0.81  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.5  0.0  0.56  1.0

Al Al V Cr