data_V2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PdSe
_chemical_formula_sum   'V2 Pd1 Se1'
_cell_volume   58.13
_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  0.53  0.6  0.48  1.0
  V  V3  1  0.53  0.4  0.48  1.0
  Pd  Pd0  1  0.07  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_V2PdSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   V2PdSe
_chemical_formula_sum   'V2 Pd1 Se1'
_cell_volume   58.18
_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  2  0.48  0.4  0.53  1.0
  Pd  Pd1  1  0.0  0.0  0.07  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

V V Pd Se
V V Pd Se 0 1 o o o 2 3 o o o 