data_ZnBi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   137.01
_cell_angle_beta   137.01
_cell_angle_gamma   62.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBi2W
_chemical_formula_sum   'Zn1 Bi2 W1'
_cell_volume   91.12
_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
  Bi  Bi0  1  0.14  0.0  0.49  1.0
  Bi  Bi1  1  0.0  0.0  0.99  1.0
  W  W2  1  0.0  0.14  0.49  1.0

data_ZnBi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.83
_cell_angle_alpha   111.5
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBi2W
_chemical_formula_sum   'Zn1 Bi2 W1'
_cell_volume   91.12
_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
  Bi  Bi1  1  0.01  0.0  0.01  1.0
  Bi  Bi2  1  0.51  0.0  0.64  1.0
  W  W3  1  0.64  0.14  0.64  1.0

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