data_Sb2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PtW
_chemical_formula_sum   'Sb2 Pt1 W1'
_cell_volume   89.05
_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
  Sb  Sb1  1  0.0  0.0  0.97  1.0
  Sb  Sb2  1  0.52  0.52  0.1  1.0
  Pt  Pt0  1  0.52  0.52  0.81  1.0
  W  W3  1  0.0  0.0  0.14  1.0

data_Sb2PtW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2PtW
_chemical_formula_sum   'Sb4 Pt2 W2'
_cell_volume   178.09
_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
  Sb  Sb0  2  0.0  0.0  0.97  1.0
  Sb  Sb1  2  0.02  0.5  0.1  1.0
  Pt  Pt2  2  0.02  0.5  0.81  1.0
  W  W3  2  0.0  0.0  0.14  1.0

Sb Sb Pt W
Sb Sb Pt W 0 3 o o + 0 1 o o + 0 1 o - + 0 1 - o + 0 1 - - + 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o - 2 2 + o o 2 2 o + o 