data_Zn4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   145.06
_cell_angle_beta   145.06
_cell_angle_gamma   50.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4W
_chemical_formula_sum   'Zn4 W1'
_cell_volume   74.72
_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  Zn1  1  0.84  0.0  0.77  1.0
  Zn  Zn2  1  0.0  0.0  0.42  1.0
  Zn  Zn3  1  0.0  0.0  0.66  1.0
  Zn  Zn4  1  0.0  0.84  0.77  1.0
  W  W0  1  0.0  0.0  0.0  1.0

data_Zn4W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   115.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn4W
_chemical_formula_sum   'Zn8 W2'
_cell_volume   149.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.35  0.42  0.93  1.0
  Zn  Zn1  2  0.16  0.5  0.66  1.0
  Zn  Zn2  2  0.42  0.0  0.42  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Zn Zn Zn Zn W
Zn Zn Zn Zn W 0 3 + - o 0 4 + o + 0 2 + o o 1 2 o o o 2 3 o - o 3 4 o + + 