data_Zn2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BW
_chemical_formula_sum   'Zn2 B1 W1'
_cell_volume   50.09
_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  0.69  0.0  0.18  1.0
  Zn  Zn3  1  0.0  0.69  0.18  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.69  0.69  0.0  1.0

data_Zn2BW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2BW
_chemical_formula_sum   'Zn4 B2 W2'
_cell_volume   100.18
_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  0.35  0.18  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.19  0.5  -0.0  1.0

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