data_BaPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82
_cell_length_b   10.82
_cell_length_c   10.82
_cell_angle_alpha   15.76
_cell_angle_beta   15.76
_cell_angle_gamma   15.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPtW2
_chemical_formula_sum   'Ba1 Pt1 W2'
_cell_volume   81.39
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.02  1.0
  W  W2  1  0.0  0.0  0.54  1.0
  W  W3  1  0.0  0.0  0.51  1.0

data_BaPtW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   99.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaPtW2
_chemical_formula_sum   'Ba2 Pt2 W4'
_cell_volume   162.78
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.98  1.0
  W  W2  2  0.0  0.0  0.46  1.0
  W  W3  2  0.0  0.0  0.49  1.0

Ba Pt W W