data_CrMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   144.8
_cell_angle_beta   129.25
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMoW2
_chemical_formula_sum   'Cr1 Mo1 W2'
_cell_volume   60.12
_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  0.38  1.0
  Mo  Mo1  1  0.56  0.0  0.21  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.21  0.16  1.0

data_CrMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.41
_cell_length_c   5.15
_cell_angle_alpha   115.38
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMoW2
_chemical_formula_sum   'Cr1 Mo1 W2'
_cell_volume   60.12
_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  0.62  0.62  0.62  1.0
  Mo  Mo1  1  0.34  0.79  0.34  1.0
  W  W2  1  0.84  0.04  0.04  1.0
  W  W3  1  1.0  1.0  1.0  1.0

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