data_CoNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.9
_cell_length_b   15.9
_cell_length_c   15.9
_cell_angle_alpha   8.75
_cell_angle_beta   8.75
_cell_angle_gamma   8.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi3
_chemical_formula_sum   'Co2 Ni6'
_cell_volume   80.71
_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  0.0  0.0  0.62  1.0
  Co  Co1  1  0.0  0.0  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.73  1.0
  Ni  Ni3  1  0.0  0.0  0.56  1.0
  Ni  Ni4  1  0.0  0.0  0.85  1.0
  Ni  Ni5  1  0.0  0.0  0.68  1.0
  Ni  Ni6  1  0.0  0.0  0.97  1.0
  Ni  Ni7  1  0.0  0.0  0.79  1.0

data_CoNi3
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.2
_cell_length_b   2.43
_cell_length_c   15.9
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   CoNi3
_chemical_formula_sum   'Co4 Ni12'
_cell_volume   161.41
_cell_formula_units_Z   4
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  0.15  1.0
  Ni  Ni1  4  0.0  0.0  0.03  1.0
  Ni  Ni2  4  0.0  0.0  0.09  1.0
  Ni  Ni3  4  0.0  0.0  0.21  1.0

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