data_CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   33.56
_cell_angle_beta   33.56
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi
_chemical_formula_sum   'Co4 Ni4'
_cell_volume   80.49
_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
  Co  Co0  1  0.0  0.0  0.67  1.0
  Co  Co1  1  0.0  0.0  0.18  1.0
  Co  Co2  1  0.0  0.0  0.89  1.0
  Co  Co3  1  0.0  0.0  0.96  1.0
  Ni  Ni4  1  0.0  0.0  0.53  1.0
  Ni  Ni5  1  0.0  0.0  0.24  1.0
  Ni  Ni6  1  0.0  0.0  0.6  1.0
  Ni  Ni7  1  0.0  0.0  0.31  1.0

data_CoNi
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.66
_cell_length_b   3.85
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   CoNi
_chemical_formula_sum   'Co8 Ni8'
_cell_volume   160.99
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Co  Co0  4  0.0  0.0  0.03  1.0
  Co  Co1  4  0.0  0.0  0.26  1.0
  Ni  Ni2  4  0.0  0.0  0.32  1.0
  Ni  Ni3  4  0.0  0.0  0.39  1.0

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