data_BaTa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.42
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   92.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2W
_chemical_formula_sum   'Ba1 Ta2 W1'
_cell_volume   99.59
_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  0.54  0.0  0.91  1.0
  Ta  Ta1  1  0.26  0.21  0.78  1.0
  Ta  Ta2  1  0.03  0.0  0.53  1.0
  W  W3  1  0.97  0.21  0.41  1.0

data_BaTa2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.42
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   92.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2W
_chemical_formula_sum   'Ba1 Ta2 W1'
_cell_volume   99.59
_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  0.54  0.0  0.91  1.0
  Ta  Ta1  1  0.03  0.0  0.53  1.0
  Ta  Ta2  1  0.26  0.21  0.78  1.0
  W  W3  1  0.97  0.21  0.41  1.0

Ba Ta Ta W
Ba Ta Ta W 0 1 o o o 2 3 - o o 