data_NbCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   16.98
_cell_angle_beta   16.98
_cell_angle_gamma   16.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrW2
_chemical_formula_sum   'Nb1 Cr1 W2'
_cell_volume   64.64
_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
  Nb  Nb1  1  0.0  0.0  0.1  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.23  1.0
  W  W3  1  0.0  0.0  0.98  1.0

data_NbCrW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCrW2
_chemical_formula_sum   'Nb2 Cr2 W4'
_cell_volume   129.29
_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
  Nb  Nb0  2  0.0  0.0  0.9  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.02  1.0
  W  W3  2  0.0  0.0  0.77  1.0

Nb Cr W W
Nb Cr W W 0 1 o o o 0 3 o o - 0 2 o o o 1 3 o o - 