data_ZrSnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   2.91
_cell_angle_alpha   101.35
_cell_angle_beta   101.35
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnW2
_chemical_formula_sum   'Zr1 Sn1 W2'
_cell_volume   74.52
_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  0.0  1.0
  Sn  Sn0  1  0.89  0.0  0.0  1.0
  W  W1  1  0.89  0.6  0.35  1.0
  W  W2  1  0.89  0.4  0.35  1.0

data_ZrSnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.38
_cell_length_c   5.6
_cell_angle_alpha   116.5
_cell_angle_beta   101.35
_cell_angle_gamma   97.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnW2
_chemical_formula_sum   'Zr1 Sn1 W2'
_cell_volume   74.52
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.89  1.0
  W  W2  1  0.75  0.4  0.29  1.0
  W  W3  1  0.95  0.6  0.49  1.0

Zr Sn W W