data_Ta2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgPd
_chemical_formula_sum   'Ta2 Ag1 Pd1'
_cell_volume   69.91
_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  0.64  0.64  0.56  1.0
  Ta  Ta3  1  0.64  0.64  0.96  1.0
  Ag  Ag0  1  0.0  0.0  0.26  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Ta2AgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2AgPd
_chemical_formula_sum   'Ta4 Ag2 Pd2'
_cell_volume   139.82
_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  0.14  0.5  0.56  1.0
  Ta  Ta1  2  0.14  0.5  0.96  1.0
  Ag  Ag2  2  0.0  0.0  0.26  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

Ta Ta Ag Pd
Ta Ta Ag Pd 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 0 3 + + + 0 1 o o o 1 3 + + + 2 3 o o o 