data_VCr2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ag
_chemical_formula_sum   'V1 Cr2 Ag1'
_cell_volume   54.28
_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  V3  1  0.0  0.0  0.52  1.0
  Cr  Cr1  1  0.0  0.0  0.33  1.0
  Cr  Cr2  1  0.47  0.0  0.49  1.0
  Ag  Ag0  1  0.47  0.0  0.12  1.0

data_VCr2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ag
_chemical_formula_sum   'V1 Cr2 Ag1'
_cell_volume   54.28
_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  V0  1  0.0  0.0  0.52  1.0
  Cr  Cr1  1  0.0  0.0  0.33  1.0
  Cr  Cr2  1  0.47  0.0  0.49  1.0
  Ag  Ag3  1  0.47  0.0  0.12  1.0

V Cr Cr Ag
V Cr Cr Ag 0 2 - o o 0 2 o o o 0 1 o o o 1 2 - o o 1 2 o o o 1 3 o o o 1 3 - o o 3 3 o + o 3 3 + o o 