data_Ag2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.3
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2PW
_chemical_formula_sum   'Ag2 P1 W1'
_cell_volume   65.08
_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
  Ag  Ag0  1  0.5  0.0  0.53  1.0
  Ag  Ag1  1  0.0  0.15  0.53  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.5  0.15  0.0  1.0

data_Ag2PW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.3
_cell_length_b   3.0
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ag2PW
_chemical_formula_sum   'Ag2 P1 W1'
_cell_volume   65.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ag  Ag0  1  0.0  0.5  0.53  1.0
  Ag  Ag1  1  0.15  0.0  0.53  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.15  0.5  0.0  1.0

Ag Ag P W
Ag Ag P W 0 1 o o o 0 1 + o o 2 3 - o o 2 3 o o o 