data_GaCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   22.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu5
_chemical_formula_sum   'Ga1 Cu5'
_cell_volume   74.17
_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  Ga5  1  0.11  0.0  0.81  1.0
  Cu  Cu0  1  0.0  0.0  0.04  1.0
  Cu  Cu1  1  0.0  0.0  0.87  1.0
  Cu  Cu2  1  0.0  0.0  0.43  1.0
  Cu  Cu3  1  0.11  0.0  0.39  1.0
  Cu  Cu4  1  0.11  0.0  0.91  1.0

data_GaCu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.22
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu5
_chemical_formula_sum   'Ga1 Cu5'
_cell_volume   74.17
_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  0.19  0.11  0.19  1.0
  Cu  Cu1  1  0.09  0.11  0.09  1.0
  Cu  Cu2  1  0.13  0.0  0.13  1.0
  Cu  Cu3  1  0.57  0.0  0.57  1.0
  Cu  Cu4  1  0.61  0.11  0.61  1.0
  Cu  Cu5  1  0.96  0.0  0.96  1.0

Ga Cu Cu Cu Cu Cu
Ga Cu Cu Cu Cu Cu 0 2 o o o 0 5 o o o 1 5 o o - 1 2 o o - 2 5 o o o 3 4 o o o 