data_CrPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   142.26
_cell_angle_beta   125.69
_cell_angle_gamma   68.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPW2
_chemical_formula_sum   'Cr1 P1 W2'
_cell_volume   55.78
_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  0.02  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.21  0.07  1.0
  W  W3  1  0.57  0.0  0.95  1.0

data_CrPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.43
_cell_length_c   4.85
_cell_angle_alpha   117.15
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPW2
_chemical_formula_sum   'Cr1 P1 W2'
_cell_volume   55.78
_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  0.98  0.98  0.98  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.62  0.05  0.62  1.0
  W  W3  1  0.93  0.15  0.15  1.0

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