data_CoPW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   140.62
_cell_angle_beta   126.28
_cell_angle_gamma   68.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPW2
_chemical_formula_sum   'Co1 P1 W2'
_cell_volume   55.1
_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
  Co  Co0  1  0.0  0.0  0.95  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.16  0.1  1.0
  W  W3  1  0.61  0.0  0.86  1.0

data_CoPW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.32
_cell_length_c   4.78
_cell_angle_alpha   116.86
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPW2
_chemical_formula_sum   'Co1 P1 W2'
_cell_volume   55.1
_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
  Co  Co0  1  0.0  0.95  0.95  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.86  0.24  1.0
  W  W3  1  0.84  0.93  0.93  1.0

Co P W W