data_ZrGaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   131.73
_cell_angle_beta   131.73
_cell_angle_gamma   70.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaPd2
_chemical_formula_sum   'Zr1 Ga1 Pd2'
_cell_volume   67.35
_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  0.04  0.03  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.04  0.0  0.03  1.0
  Pd  Pd2  1  0.0  0.0  0.06  1.0

data_ZrGaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.98
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaPd2
_chemical_formula_sum   'Zr1 Ga1 Pd2'
_cell_volume   67.35
_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  0.99  0.03  0.99  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.03  0.99  0.99  1.0
  Pd  Pd3  1  0.06  0.06  0.06  1.0

Zr Ga Pd Pd
Zr Ga Pd Pd 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 