data_Ga2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   20.04
_cell_angle_beta   20.04
_cell_angle_gamma   20.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuPd
_chemical_formula_sum   'Ga2 Cu1 Pd1'
_cell_volume   59.91
_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  Ga1  1  0.0  0.0  0.16  1.0
  Ga  Ga2  1  0.0  0.0  0.39  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.27  1.0

data_Ga2CuPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2CuPd
_chemical_formula_sum   'Ga4 Cu2 Pd2'
_cell_volume   119.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.61  1.0
  Ga  Ga1  2  0.0  0.0  0.84  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.73  1.0

Ga Ga Cu Pd
Ga Ga Cu Pd 0 3 o o o 0 2 o o o 1 3 o o o 