data_BaTa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   153.19
_cell_angle_beta   133.35
_cell_angle_gamma   54.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Au
_chemical_formula_sum   'Ba1 Ta2 Au1'
_cell_volume   94.6
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.53  0.0  0.32  1.0
  Ta  Ta3  1  0.0  0.62  0.56  1.0
  Au  Au0  1  0.0  0.0  0.88  1.0

data_BaTa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.24
_cell_length_c   6.62
_cell_angle_alpha   113.32
_cell_angle_beta   103.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Au
_chemical_formula_sum   'Ba1 Ta2 Au1'
_cell_volume   94.6
_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
  Ta  Ta1  1  0.21  0.68  0.21  1.0
  Ta  Ta2  1  0.44  0.06  0.06  1.0
  Au  Au3  1  0.12  0.12  0.12  1.0

Ba Ta Ta Au