data_YZr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.97
_cell_angle_alpha   92.94
_cell_angle_beta   92.94
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2W
_chemical_formula_sum   'Y1 Zr2 W1'
_cell_volume   89.54
_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
  Y  Y1  1  0.21  0.0  0.4  1.0
  Zr  Zr2  1  0.05  0.0  0.15  1.0
  Zr  Zr3  1  0.44  0.0  0.55  1.0
  W  W0  1  0.85  0.0  0.84  1.0

data_YZr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.23
_cell_length_c   5.97
_cell_angle_alpha   92.94
_cell_angle_beta   90.0
_cell_angle_gamma   106.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2W
_chemical_formula_sum   'Y1 Zr2 W1'
_cell_volume   89.54
_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
  Y  Y0  1  0.0  0.79  0.6  1.0
  Zr  Zr1  1  0.0  0.56  0.45  1.0
  Zr  Zr2  1  0.0  0.95  0.85  1.0
  W  W3  1  0.0  0.15  0.16  1.0

Y Zr Zr W