data_Zn2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.87
_cell_angle_beta   134.87
_cell_angle_gamma   65.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsW
_chemical_formula_sum   'Zn2 As1 W1'
_cell_volume   61.08
_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
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.91  0.0  0.09  1.0
  As  As0  1  0.0  0.0  0.18  1.0
  W  W1  1  0.0  0.91  0.09  1.0

data_Zn2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   4.98
_cell_angle_alpha   112.56
_cell_angle_beta   112.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsW
_chemical_formula_sum   'Zn2 As1 W1'
_cell_volume   61.08
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.91  0.0  0.82  1.0
  As  As2  1  0.82  0.0  0.82  1.0
  W  W3  1  0.82  0.91  0.82  1.0

Zn Zn As W
Zn Zn As W 0 1 - o o 0 3 o - o 0 2 o o o 1 2 + o o 2 3 o - o 