data_CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.18
_cell_length_b   16.18
_cell_length_c   16.18
_cell_angle_alpha   8.75
_cell_angle_beta   8.75
_cell_angle_gamma   8.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi
_chemical_formula_sum   'Cu4 Ni4'
_cell_volume   85.02
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.0  0.0  0.27  1.0
  Cu  Cu1  1  0.0  0.0  0.04  1.0
  Cu  Cu2  1  0.0  0.0  0.31  1.0
  Cu  Cu3  1  0.0  0.0  0.09  1.0
  Ni  Ni4  1  0.0  0.0  0.18  1.0
  Ni  Ni5  1  0.0  0.0  0.22  1.0
  Ni  Ni6  1  0.0  0.0  0.0  1.0
  Ni  Ni7  1  0.0  0.0  0.13  1.0

data_CuNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.27
_cell_length_b   2.47
_cell_length_c   16.18
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuNi
_chemical_formula_sum   'Cu8 Ni8'
_cell_volume   170.03
_cell_formula_units_Z   8
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
  Cu  Cu0  2  0.0  0.0  0.69  1.0
  Cu  Cu1  2  0.0  0.0  0.73  1.0
  Cu  Cu2  2  0.0  0.0  0.91  1.0
  Cu  Cu3  2  0.0  0.0  0.96  1.0
  Ni  Ni4  2  0.0  0.0  0.0  1.0
  Ni  Ni5  2  0.0  0.0  0.78  1.0
  Ni  Ni6  2  0.0  0.0  0.82  1.0
  Ni  Ni7  2  0.0  0.0  0.87  1.0

Cu Cu Cu Cu Ni Ni Ni Ni