data_ZnB2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   2.71
_cell_angle_alpha   93.37
_cell_angle_beta   93.37
_cell_angle_gamma   88.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2W
_chemical_formula_sum   'Zn1 B2 W1'
_cell_volume   41.4
_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  Zn3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.29  0.63  0.35  1.0
  B  B1  1  0.29  0.37  0.35  1.0
  W  W2  1  0.79  0.0  0.0  1.0

data_ZnB2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.92
_cell_length_c   3.92
_cell_angle_alpha   88.92
_cell_angle_beta   86.63
_cell_angle_gamma   86.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2W
_chemical_formula_sum   'Zn1 B2 W1'
_cell_volume   41.4
_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
  B  B1  1  0.35  0.71  0.37  1.0
  B  B2  1  0.35  0.71  0.63  1.0
  W  W3  1  0.0  0.21  0.0  1.0

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