data_Ba2AgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   136.25
_cell_angle_beta   136.25
_cell_angle_gamma   63.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AgW
_chemical_formula_sum   'Ba2 Ag1 W1'
_cell_volume   131.08
_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  Ba1  1  0.43  0.0  0.77  1.0
  Ba  Ba2  1  0.0  0.0  0.55  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.43  0.77  1.0

data_Ba2AgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.52
_cell_angle_alpha   111.88
_cell_angle_beta   111.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AgW
_chemical_formula_sum   'Ba2 Ag1 W1'
_cell_volume   131.08
_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  0.55  0.55  0.55  1.0
  Ba  Ba1  1  0.77  0.34  0.34  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.34  0.77  0.34  1.0

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