data_Pt5W4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   95.35
_cell_angle_beta   95.35
_cell_angle_gamma   144.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt5W4
_chemical_formula_sum   'Pt5 W4'
_cell_volume   141.75
_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
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.81  0.81  0.0  1.0
  Pt  Pt2  1  0.54  0.46  0.94  1.0
  Pt  Pt3  1  0.46  0.54  0.94  1.0
  Pt  Pt4  1  0.46  0.46  0.94  1.0
  W  W5  1  0.0  0.89  0.0  1.0
  W  W6  1  0.0  0.66  0.0  1.0
  W  W7  1  0.89  0.0  0.0  1.0
  W  W8  1  0.66  0.0  0.0  1.0

data_Pt5W4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   12.09
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pt5W4
_chemical_formula_sum   'Pt10 W8'
_cell_volume   283.49
_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
  Pt  Pt0  4  0.44  0.04  0.94  1.0
  Pt  Pt1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.19  0.0  0.0  1.0
  Pt  Pt3  2  0.48  0.0  0.94  1.0
  W  W4  4  0.06  0.06  0.0  1.0
  W  W5  4  0.17  0.17  0.0  1.0

Pt Pt Pt Pt Pt W W W W
Pt Pt Pt Pt Pt W W W W 0 1 - - o 0 7 - o o 0 5 o - o 1 7 o + o 1 5 + o o 2 4 o o o 3 4 o o o 5 6 o o o 7 8 o o o 