data_CrCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   133.91
_cell_angle_beta   133.91
_cell_angle_gamma   67.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNi2
_chemical_formula_sum   'Cr1 Co1 Ni2'
_cell_volume   43.05
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.65  1.0
  Ni  Ni2  1  0.72  0.0  0.83  1.0
  Ni  Ni3  1  0.0  0.72  0.83  1.0

data_CrCoNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   123.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCoNi2
_chemical_formula_sum   'Cr2 Co2 Ni4'
_cell_volume   86.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.35  0.0  0.35  1.0
  Ni  Ni2  4  0.03  0.14  0.89  1.0

Cr Co Ni Ni