data_P5W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P5W
_chemical_formula_sum   'P5 W1'
_cell_volume   88.11
_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
  P  P0  1  0.32  0.0  0.36  1.0
  P  P1  1  0.66  0.14  0.36  1.0
  P  P2  1  0.34  0.87  0.36  1.0
  P  P3  1  0.32  0.34  0.0  1.0
  P  P4  1  0.0  0.68  0.0  1.0
  W  W5  1  0.0  0.0  0.0  1.0

data_P5W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P5W
_chemical_formula_sum   'P5 W1'
_cell_volume   88.11
_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
  P  P0  1  0.0  0.68  0.0  1.0
  P  P1  1  0.32  0.0  0.36  1.0
  P  P2  1  0.32  0.34  -0.0  1.0
  P  P3  1  0.34  0.87  0.36  1.0
  P  P4  1  0.66  0.14  0.36  1.0
  W  W5  1  0.0  0.0  0.0  1.0

P P P P P W
P P P P P W 0 2 o - o 0 1 o o o 1 2 o - o 3 5 o o o 4 5 o + o 