data_CoCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu3
_chemical_formula_sum   'Co2 Cu6'
_cell_volume   95.69
_cell_formula_units_Z   2
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
  Co  Co0  1  0.29  0.29  0.29  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.29  0.43  0.0  1.0
  Cu  Cu3  1  0.29  0.14  0.0  1.0
  Cu  Cu4  1  0.43  0.0  0.29  1.0
  Cu  Cu5  1  0.0  0.29  0.43  1.0
  Cu  Cu6  1  0.0  0.29  0.14  1.0
  Cu  Cu7  1  0.14  0.0  0.29  1.0

data_CoCu3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CoCu3
_chemical_formula_sum   'Co6 Cu18'
_cell_volume   287.06
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.29  1.0
  Cu  Cu2  9  -0.0  0.86  0.14  1.0
  Cu  Cu3  9  0.05  0.24  0.24  1.0

Co Co Cu Cu Cu Cu Cu Cu
Co Co Cu Cu Cu Cu Cu Cu 0 7 o o o 0 6 o o o 0 5 o o o 0 3 o o o 0 4 o o o 0 2 o o o 1 7 o o o 1 6 o o o 1 3 o o o 2 6 o o o 2 3 o o o 3 7 o o o 3 6 o o o 3 4 o o o 4 7 o o o 5 7 o o o 5 6 o o o 6 7 o o o 