data_BaPt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.99
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2W
_chemical_formula_sum   'Ba1 Pt2 W1'
_cell_volume   87.87
_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  0.72  1.0
  Pt  Pt1  1  0.47  0.99  0.45  1.0
  Pt  Pt2  1  0.0  0.0  0.01  1.0
  W  W3  1  0.47  0.99  0.03  1.0

data_BaPt2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.95
_cell_length_b   3.99
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaPt2W
_chemical_formula_sum   'Ba1 Pt2 W1'
_cell_volume   87.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.72  1.0
  Pt  Pt1  1  0.0  0.0  0.01  1.0
  Pt  Pt2  1  0.47  0.0  0.45  1.0
  W  W3  1  0.47  0.0  0.03  1.0

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