data_VCrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.52
_cell_length_c   2.7
_cell_angle_alpha   82.05
_cell_angle_beta   74.45
_cell_angle_gamma   23.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrAu
_chemical_formula_sum   'V1 Cr1 Au1'
_cell_volume   43.47
_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  V2  1  0.56  0.2  0.04  1.0
  Cr  Cr1  1  0.56  0.2  0.61  1.0
  Au  Au0  1  0.56  0.2  0.01  1.0

data_VCrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.12
_cell_length_b   12.66
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   125.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCrAu
_chemical_formula_sum   'V2 Cr2 Au2'
_cell_volume   86.95
_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
  V  V0  2  0.2  0.0  0.4  1.0
  Cr  Cr1  2  0.13  0.5  0.83  1.0
  Au  Au2  2  0.23  0.0  0.43  1.0

V Cr Au