data_TaZnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.79
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   33.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnPd2
_chemical_formula_sum   'Ta1 Zn1 Pd2'
_cell_volume   62.78
_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  0.3  0.0  0.22  1.0
  Zn  Zn3  1  0.73  0.0  0.69  1.0
  Pd  Pd0  1  0.57  0.0  0.56  1.0
  Pd  Pd1  1  0.81  0.0  0.31  1.0

data_TaZnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.79
_cell_length_c   4.91
_cell_angle_alpha   99.61
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnPd2
_chemical_formula_sum   'Ta1 Zn1 Pd2'
_cell_volume   62.78
_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  0.0  0.22  0.3  1.0
  Zn  Zn1  1  0.0  0.69  0.73  1.0
  Pd  Pd2  1  0.0  0.31  0.81  1.0
  Pd  Pd3  1  0.0  0.56  0.57  1.0

Ta Zn Pd Pd
Ta Zn Pd Pd 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 