data_CrNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.92
_cell_angle_alpha   97.24
_cell_angle_beta   97.24
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiW2
_chemical_formula_sum   'Cr1 Ni1 W2'
_cell_volume   56.57
_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  0.11  0.0  0.44  1.0
  W  W2  1  0.55  0.0  0.24  1.0
  W  W3  1  0.66  0.0  0.64  1.0

data_CrNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.62
_cell_length_c   4.92
_cell_angle_alpha   97.24
_cell_angle_beta   90.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiW2
_chemical_formula_sum   'Cr1 Ni1 W2'
_cell_volume   56.57
_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  0.89  0.56  1.0
  W  W2  1  0.0  0.34  0.36  1.0
  W  W3  1  0.0  0.45  0.76  1.0

Cr Ni W W