data_SrTa2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   5.56
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   94.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Au
_chemical_formula_sum   'Sr1 Ta2 Au1'
_cell_volume   89.52
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.84  0.78  0.73  1.0
  Ta  Ta3  1  0.99  0.78  0.34  1.0
  Au  Au0  1  0.41  0.0  0.53  1.0

data_SrTa2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.07
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Au
_chemical_formula_sum   'Sr1 Ta2 Au1'
_cell_volume   89.52
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.01  0.66  0.22  1.0
  Ta  Ta2  1  0.16  0.27  0.22  1.0
  Au  Au3  1  0.59  0.47  0.0  1.0

Sr Ta Ta Au