data_TaVPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   133.47
_cell_angle_beta   133.47
_cell_angle_gamma   67.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVPd2
_chemical_formula_sum   'Ta1 V1 Pd2'
_cell_volume   61.41
_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
  Ta  Ta2  1  0.0  0.0  0.08  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.94  0.04  1.0
  Pd  Pd1  1  0.94  0.0  0.04  1.0

data_TaVPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   123.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaVPd2
_chemical_formula_sum   'Ta2 V2 Pd4'
_cell_volume   122.82
_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
  Ta  Ta0  2  0.0  0.0  0.08  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.03  0.03  0.1  1.0

Ta V Pd Pd
Ta V Pd Pd 0 3 - o o 0 2 o - o 0 1 o o o 1 3 - o o 1 2 o - o 