data_GdCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCu5
_chemical_formula_sum   'Gd1 Cu5'
_cell_volume   88.37
_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
  Gd  Gd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.5  0.0  0.03  1.0
  Cu  Cu2  1  0.0  0.89  0.0  1.0
  Cu  Cu3  1  0.25  0.17  0.03  1.0
  Cu  Cu4  1  0.5  0.45  0.0  1.0
  Cu  Cu5  1  0.75  0.17  0.03  1.0

data_GdCu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCu5
_chemical_formula_sum   'Gd1 Cu5'
_cell_volume   88.37
_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
  Gd  Gd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  -0.0  0.89  1.0
  Cu  Cu2  1  0.0  0.5  0.45  1.0
  Cu  Cu3  1  0.03  0.25  0.17  1.0
  Cu  Cu4  1  0.03  0.5  0.0  1.0
  Cu  Cu5  1  0.03  0.75  0.17  1.0

Gd Cu Cu Cu Cu Cu
Gd Cu Cu Cu Cu Cu 0 2 o - o 0 3 o o o 1 5 o o o 2 3 o + o 3 4 o o o 