data_CrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.41
_cell_length_b   4.09
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi
_chemical_formula_sum   'Cr2 Ni2'
_cell_volume   44.84
_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
  Cr  Cr0  1  0.0  0.0  0.76  1.0
  Cr  Cr1  1  0.21  0.04  0.79  1.0
  Ni  Ni2  1  0.0  0.04  0.14  1.0
  Ni  Ni3  1  0.21  0.0  0.41  1.0

data_CrNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.41
_cell_length_b   4.09
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrNi
_chemical_formula_sum   'Cr2 Ni2'
_cell_volume   44.84
_cell_formula_units_Z   2
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
  Cr  Cr0  2  0.1  0.02  0.51  1.0
  Ni  Ni1  2  0.1  0.98  0.14  1.0

Cr Cr Ni Ni