data_VCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   2.58
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Pd
_chemical_formula_sum   'V1 Cr2 Pd1'
_cell_volume   52.09
_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  0.0  1.0
  Cr  Cr0  1  0.52  0.0  0.99  1.0
  Cr  Cr1  1  0.52  0.0  0.26  1.0
  Pd  Pd2  1  0.0  0.0  0.12  1.0

data_VCr2Pd
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.58
_cell_length_b   8.24
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VCr2Pd
_chemical_formula_sum   'V1 Cr2 Pd1'
_cell_volume   52.09
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  1.0
  Cr  Cr1  1  0.5  0.01  0.0  1.0
  Cr  Cr2  1  0.5  0.74  0.0  1.0
  Pd  Pd3  1  0.0  0.88  0.0  1.0

V Cr Cr Pd