data_CrNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   17.57
_cell_angle_beta   17.57
_cell_angle_gamma   17.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2W
_chemical_formula_sum   'Cr1 Ni2 W1'
_cell_volume   50.73
_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  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.46  1.0
  Ni  Ni2  1  0.0  0.0  0.96  1.0
  W  W3  1  0.0  0.0  0.71  1.0

data_CrNi2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   2.63
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrNi2W
_chemical_formula_sum   'Cr2 Ni4 W2'
_cell_volume   101.47
_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
  Ni  Ni1  2  0.0  0.0  0.04  1.0
  Ni  Ni2  2  0.0  0.0  0.54  1.0
  W  W3  2  0.0  0.0  0.29  1.0

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