data_Zn2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.83
_cell_angle_alpha   94.96
_cell_angle_beta   94.96
_cell_angle_gamma   34.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PW
_chemical_formula_sum   'Zn2 P1 W1'
_cell_volume   59.91
_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  0.66  0.0  0.75  1.0
  Zn  Zn3  1  0.02  0.0  0.79  1.0
  P  P0  1  0.13  0.0  0.12  1.0
  W  W1  1  0.58  0.0  0.38  1.0

data_Zn2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.7
_cell_length_c   4.83
_cell_angle_alpha   94.96
_cell_angle_beta   90.0
_cell_angle_gamma   107.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PW
_chemical_formula_sum   'Zn2 P1 W1'
_cell_volume   59.91
_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  0.0  0.34  0.25  1.0
  Zn  Zn1  1  0.0  0.98  0.21  1.0
  P  P2  1  0.0  0.87  0.88  1.0
  W  W3  1  0.0  0.42  0.62  1.0

Zn Zn P W