data_YPt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   134.53
_cell_angle_beta   134.53
_cell_angle_gamma   66.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPt2W
_chemical_formula_sum   'Y1 Pt2 W1'
_cell_volume   72.19
_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  Y3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.03  0.0  0.2  1.0
  Pt  Pt1  1  0.0  0.0  0.39  1.0
  W  W2  1  0.0  0.03  0.2  1.0

data_YPt2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.25
_cell_angle_alpha   112.73
_cell_angle_beta   112.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPt2W
_chemical_formula_sum   'Y1 Pt2 W1'
_cell_volume   72.19
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.2  0.17  0.17  1.0
  Pt  Pt2  1  0.39  0.39  0.39  1.0
  W  W3  1  0.17  0.2  0.17  1.0

Y Pt Pt W
Y Pt Pt W 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 