data_ZrBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   142.7
_cell_angle_beta   129.29
_cell_angle_gamma   64.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiW2
_chemical_formula_sum   'Zr1 Bi1 W2'
_cell_volume   78.76
_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
  Zr  Zr3  1  0.0  0.0  0.62  1.0
  Bi  Bi0  1  0.0  0.37  0.45  1.0
  W  W1  1  0.0  0.0  0.15  1.0
  W  W2  1  0.77  0.0  0.14  1.0

data_ZrBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.75
_cell_length_c   5.54
_cell_angle_alpha   115.36
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiW2
_chemical_formula_sum   'Zr1 Bi1 W2'
_cell_volume   78.76
_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
  Zr  Zr0  1  0.0  0.62  0.62  1.0
  Bi  Bi1  1  0.63  0.08  0.08  1.0
  W  W2  1  0.0  0.14  0.37  1.0
  W  W3  1  0.0  0.15  0.15  1.0

Zr Bi W W