data_Y2ZrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.31
_cell_angle_alpha   146.28
_cell_angle_beta   146.28
_cell_angle_gamma   48.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrW2
_chemical_formula_sum   'Y2 Zr1 W2'
_cell_volume   119.89
_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  Y2  1  0.0  0.12  0.33  1.0
  Y  Y3  1  0.12  0.0  0.33  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  W  W0  1  0.0  0.0  0.81  1.0
  W  W1  1  0.0  0.0  0.52  1.0

data_Y2ZrW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2ZrW2
_chemical_formula_sum   'Y4 Zr2 W4'
_cell_volume   239.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.06  0.06  0.79  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.19  1.0
  W  W3  2  0.0  0.0  0.48  1.0

Y Y Zr W W
Y Y Zr W W 0 1 o o o 0 4 o o o 1 4 o o o 2 3 o o - 3 4 o o o 