data_V2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   133.85
_cell_angle_beta   133.85
_cell_angle_gamma   67.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TePd
_chemical_formula_sum   'V2 Te1 Pd1'
_cell_volume   63.06
_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  0.0  0.95  0.07  1.0
  V  V3  1  0.95  0.0  0.07  1.0
  Te  Te1  1  0.0  0.0  0.14  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_V2TePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   123.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2TePd
_chemical_formula_sum   'V4 Te2 Pd2'
_cell_volume   126.12
_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  4  0.02  0.02  0.12  1.0
  Te  Te1  2  0.0  0.0  0.14  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

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