data_Ta2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   134.1
_cell_angle_beta   134.1
_cell_angle_gamma   66.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TePd
_chemical_formula_sum   'Ta2 Te1 Pd1'
_cell_volume   73.11
_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  0.04  0.0  0.19  1.0
  Ta  Ta2  1  0.0  0.04  0.19  1.0
  Te  Te3  1  0.0  0.0  0.37  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Ta2TePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   123.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TePd
_chemical_formula_sum   'Ta4 Te2 Pd2'
_cell_volume   146.21
_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  4  0.34  0.48  0.86  1.0
  Te  Te1  2  0.13  0.5  0.63  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Ta Ta Te Pd