data_ZrTaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.2
_cell_angle_alpha   99.51
_cell_angle_beta   99.51
_cell_angle_gamma   34.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaPd2
_chemical_formula_sum   'Zr1 Ta1 Pd2'
_cell_volume   71.16
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.26  0.0  0.56  1.0
  Pd  Pd0  1  0.65  0.0  0.77  1.0
  Pd  Pd1  1  0.87  0.0  0.35  1.0

data_ZrTaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.94
_cell_length_c   5.2
_cell_angle_alpha   99.51
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaPd2
_chemical_formula_sum   'Zr1 Ta1 Pd2'
_cell_volume   71.16
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.74  0.44  1.0
  Pd  Pd2  1  0.0  0.13  0.65  1.0
  Pd  Pd3  1  0.0  0.35  0.23  1.0

Zr Ta Pd Pd