data_Ga2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   82.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PdSe
_chemical_formula_sum   'Ga2 Pd1 Se1'
_cell_volume   76.4
_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  0.29  0.0  0.16  1.0
  Ga  Ga1  1  0.0  0.0  0.78  1.0
  Pd  Pd2  1  0.29  0.0  0.93  1.0
  Se  Se3  1  0.0  0.0  0.42  1.0

data_Ga2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PdSe
_chemical_formula_sum   'Ga2 Pd1 Se1'
_cell_volume   76.4
_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  0.22  0.0  1.0
  Ga  Ga1  1  0.0  0.84  0.71  1.0
  Pd  Pd2  1  0.0  0.07  0.71  1.0
  Se  Se3  1  0.0  0.58  0.0  1.0

Ga Ga Pd Se
Ga Ga Pd Se 0 2 o o - 0 3 o o o 1 3 o o o 1 2 o o o 