data_VMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.0
_cell_angle_alpha   96.83
_cell_angle_beta   96.83
_cell_angle_gamma   32.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMo2Pd
_chemical_formula_sum   'V1 Mo2 Pd1'
_cell_volume   60.83
_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  0.86  0.0  0.26  1.0
  Mo  Mo0  1  0.02  0.0  0.01  1.0
  Mo  Mo1  1  0.77  0.0  0.72  1.0
  Pd  Pd2  1  0.29  0.0  0.45  1.0

data_VMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.81
_cell_length_c   5.0
_cell_angle_alpha   96.83
_cell_angle_beta   90.0
_cell_angle_gamma   106.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMo2Pd
_chemical_formula_sum   'V1 Mo2 Pd1'
_cell_volume   60.83
_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  0.14  0.74  1.0
  Mo  Mo1  1  0.0  0.23  0.28  1.0
  Mo  Mo2  1  0.0  0.98  0.99  1.0
  Pd  Pd3  1  0.0  0.71  0.55  1.0

V Mo Mo Pd
V Mo Mo Pd 0 1 + o o 0 3 + o o 1 2 - o - 1 3 o o o 2 3 o o o 3 3 + - o 