data_SrTa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.71
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   91.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Cu
_chemical_formula_sum   'Sr1 Ta2 Cu1'
_cell_volume   86.47
_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  0.36  0.85  0.52  1.0
  Ta  Ta2  1  1.0  0.0  0.53  1.0
  Ta  Ta3  1  0.52  0.85  0.98  1.0
  Cu  Cu0  1  0.99  0.0  0.32  1.0

data_SrTa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.71
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   91.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Cu
_chemical_formula_sum   'Sr1 Ta2 Cu1'
_cell_volume   86.47
_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  0.36  0.85  0.52  1.0
  Ta  Ta1  1  0.52  0.85  0.98  1.0
  Ta  Ta2  1  1.0  0.0  0.53  1.0
  Cu  Cu3  1  0.99  0.0  0.32  1.0

Sr Ta Ta Cu
Sr Ta Ta Cu 0 1 - + o 0 2 o o o 0 3 - + o 1 3 o o o 2 3 - + + 2 3 o + + 2 2 + o o 