data_Zn2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.72
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PW
_chemical_formula_sum   'Zn2 P1 W1'
_cell_volume   59.25
_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
  Zn  Zn2  1  0.84  0.36  0.53  1.0
  Zn  Zn3  1  0.53  0.36  0.15  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.35  0.0  0.34  1.0

data_Zn2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.72
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PW
_chemical_formula_sum   'Zn2 P1 W1'
_cell_volume   59.25
_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
  Zn  Zn0  1  0.53  0.36  0.15  1.0
  Zn  Zn1  1  0.84  0.36  0.53  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.35  0.0  0.34  1.0

Zn Zn P W
Zn Zn P W 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 