data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   102.44
_cell_angle_beta   102.44
_cell_angle_gamma   124.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr2 Ni4'
_cell_volume   70.62
_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  0.07  1.0
  Cr  Cr1  1  0.0  0.0  0.2  1.0
  Ni  Ni2  1  0.05  0.83  0.0  1.0
  Ni  Ni3  1  0.05  0.17  0.13  1.0
  Ni  Ni4  1  0.83  0.71  0.0  1.0
  Ni  Ni5  1  0.83  0.05  0.13  1.0

data_CrNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   77.56
_cell_angle_beta   62.35
_cell_angle_gamma   62.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr2 Ni4'
_cell_volume   70.62
_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  0.8  0.2  0.0  1.0
  Cr  Cr1  1  0.93  0.07  0.0  1.0
  Ni  Ni2  1  0.04  0.13  0.88  1.0
  Ni  Ni3  1  0.71  -0.0  0.12  1.0
  Ni  Ni4  1  0.83  -0.0  0.21  1.0
  Ni  Ni5  1  0.91  0.13  0.79  1.0

Cr Cr Ni Ni Ni Ni