data_CrPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   138.94
_cell_angle_beta   138.94
_cell_angle_gamma   59.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPW2
_chemical_formula_sum   'Cr1 P1 W2'
_cell_volume   55.82
_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  0.78  0.2  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.78  0.0  0.2  1.0
  W  W3  1  0.0  0.0  0.41  1.0

data_CrPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   5.07
_cell_angle_alpha   110.53
_cell_angle_beta   110.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPW2
_chemical_formula_sum   'Cr1 P1 W2'
_cell_volume   55.82
_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  0.58  0.78  0.58  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.59  0.0  0.59  1.0
  W  W3  1  0.8  0.0  0.58  1.0

Cr P W W