data_BaPt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.29
_cell_length_c   7.46
_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   96.5
_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  0.66  1.0
  Pt  Pt1  1  0.51  0.15  0.25  1.0
  Pt  Pt2  1  0.51  0.0  0.57  1.0
  W  W3  1  0.0  0.15  0.16  1.0

data_BaPt2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.29
_cell_length_b   3.01
_cell_length_c   7.46
_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   96.5
_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  0.66  1.0
  Pt  Pt1  1  0.0  0.5  0.57  1.0
  Pt  Pt2  1  0.15  0.5  0.25  1.0
  W  W3  1  0.15  0.0  0.16  1.0

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