data_CrNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.63
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   33.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiW2
_chemical_formula_sum   'Cr1 Ni1 W2'
_cell_volume   55.47
_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  0.18  0.0  0.29  1.0
  Ni  Ni1  1  0.55  0.0  0.45  1.0
  W  W2  1  0.02  0.0  0.43  1.0
  W  W3  1  0.52  0.0  0.23  1.0

data_CrNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.63
_cell_length_c   4.67
_cell_angle_alpha   99.81
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiW2
_chemical_formula_sum   'Cr1 Ni1 W2'
_cell_volume   55.47
_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  0.29  0.18  1.0
  Ni  Ni1  1  0.0  0.45  0.55  1.0
  W  W2  1  0.0  0.23  0.52  1.0
  W  W3  1  0.0  0.43  0.02  1.0

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