data_LaY2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64
_cell_length_b   10.64
_cell_length_c   10.64
_cell_angle_alpha   19.11
_cell_angle_beta   19.11
_cell_angle_gamma   19.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2W
_chemical_formula_sum   'La1 Y2 W1'
_cell_volume   112.74
_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
  La  La0  1  0.0  0.0  0.15  1.0
  Y  Y2  1  0.0  0.0  0.87  1.0
  Y  Y3  1  0.0  0.0  0.49  1.0
  W  W1  1  0.0  0.0  0.8  1.0

data_LaY2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   10.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY2W
_chemical_formula_sum   'La2 Y4 W2'
_cell_volume   225.48
_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
  La  La0  2  0.0  0.0  0.85  1.0
  Y  Y1  2  0.0  0.0  0.13  1.0
  Y  Y2  2  0.0  0.0  0.51  1.0
  W  W3  2  0.0  0.0  0.2  1.0

La Y Y W
La Y Y W 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 0 1 o o - 0 2 o o o 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 