data_Ga2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   149.65
_cell_angle_beta   133.16
_cell_angle_gamma   56.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2RePd
_chemical_formula_sum   'Ga2 Re1 Pd1'
_cell_volume   61.14
_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
  Ga  Ga0  1  0.0  0.0  0.6  1.0
  Ga  Ga1  1  0.44  0.0  0.49  1.0
  Re  Re3  1  0.0  0.19  0.45  1.0
  Pd  Pd2  1  0.0  0.0  0.84  1.0

data_Ga2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.38
_cell_length_c   5.51
_cell_angle_alpha   113.42
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2RePd
_chemical_formula_sum   'Ga2 Re1 Pd1'
_cell_volume   61.14
_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
  Ga  Ga0  1  0.0  0.49  0.05  1.0
  Ga  Ga1  1  0.0  0.6  0.6  1.0
  Re  Re2  1  0.81  0.26  0.26  1.0
  Pd  Pd3  1  0.0  0.84  0.84  1.0

Ga Ga Re Pd
Ga Ga Re Pd 0 3 o o o 0 2 o o o 1 2 o o o 1 3 + o o 