data_Cr2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   3.78
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiW
_chemical_formula_sum   'Cr2 Ni1 W1'
_cell_volume   51.05
_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  Cr0  1  0.0  0.0  0.1  1.0
  Cr  Cr1  1  0.27  0.89  0.32  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0
  W  W3  1  0.27  0.89  0.95  1.0

data_Cr2NiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   3.78
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiW
_chemical_formula_sum   'Cr2 Ni1 W1'
_cell_volume   51.05
_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  Cr0  1  0.0  0.0  0.1  1.0
  Cr  Cr1  1  0.27  0.89  0.32  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0
  W  W3  1  0.27  0.89  0.95  1.0

Cr Cr Ni W
Cr Cr Ni W 0 3 o - - 0 1 o - o 1 2 o + o 