data_Ta2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TePd
_chemical_formula_sum   'Ta2 Te1 Pd1'
_cell_volume   73.2
_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  Ta1  1  0.54  0.84  0.62  1.0
  Ta  Ta2  1  0.54  0.16  0.62  1.0
  Te  Te3  1  0.08  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Ta2TePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   100.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TePd
_chemical_formula_sum   'Ta2 Te1 Pd1'
_cell_volume   73.2
_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  Ta0  1  0.62  0.54  0.16  1.0
  Ta  Ta1  1  0.62  0.54  0.84  1.0
  Te  Te2  1  -0.0  0.08  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ta Ta Te Pd