data_Cd2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoNi
_chemical_formula_sum   'Cd2 Co1 Ni1'
_cell_volume   63.48
_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
  Cd  Cd0  1  0.0  0.0  0.31  1.0
  Cd  Cd1  1  0.02  0.0  0.36  1.0
  Co  Co2  1  0.0  0.0  0.46  1.0
  Ni  Ni3  1  0.02  0.0  0.18  1.0

data_Cd2CoNi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2CoNi
_chemical_formula_sum   'Cd2 Co1 Ni1'
_cell_volume   63.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cd  Cd0  1  0.0  0.0  0.31  1.0
  Cd  Cd1  1  0.02  0.0  0.36  1.0
  Co  Co2  1  0.0  0.0  0.46  1.0
  Ni  Ni3  1  0.02  0.0  0.18  1.0

Cd Cd Co Ni
Cd Cd Co Ni 0 1 o o o 0 3 o o o 1 2 o o o 