data_Y2GaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   4.7
_cell_angle_alpha   111.87
_cell_angle_beta   111.87
_cell_angle_gamma   33.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaPd
_chemical_formula_sum   'Y2 Ga1 Pd1'
_cell_volume   90.87
_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
  Y  Y2  1  0.25  0.0  0.13  1.0
  Y  Y3  1  0.56  0.0  0.23  1.0
  Ga  Ga0  1  0.55  0.0  1.0  1.0
  Pd  Pd1  1  0.68  0.0  0.15  1.0

data_Y2GaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.7
_cell_length_c   6.19
_cell_angle_alpha   111.87
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaPd
_chemical_formula_sum   'Y2 Ga1 Pd1'
_cell_volume   90.87
_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
  Y  Y0  1  0.0  0.13  0.25  1.0
  Y  Y1  1  0.0  0.23  0.56  1.0
  Ga  Ga2  1  0.0  1.0  0.55  1.0
  Pd  Pd3  1  0.0  0.15  0.68  1.0

Y Y Ga Pd
Y Y Ga Pd 0 1 o o o 0 2 o o - 1 2 o o - 1 3 o o o 2 3 o o + 