data_Sr2TaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   5.59
_cell_angle_alpha   113.41
_cell_angle_beta   113.41
_cell_angle_gamma   29.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaCu
_chemical_formula_sum   'Sr2 Ta1 Cu1'
_cell_volume   113.61
_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  0.35  0.0  0.23  1.0
  Sr  Sr2  1  0.4  0.0  0.73  1.0
  Ta  Ta3  1  0.68  0.0  0.31  1.0
  Cu  Cu0  1  0.53  0.0  0.37  1.0

data_Sr2TaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.59
_cell_length_c   6.7
_cell_angle_alpha   113.41
_cell_angle_beta   104.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaCu
_chemical_formula_sum   'Sr2 Ta1 Cu1'
_cell_volume   113.61
_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  0.23  0.35  1.0
  Sr  Sr1  1  0.0  0.73  0.4  1.0
  Ta  Ta2  1  0.0  0.31  0.68  1.0
  Cu  Cu3  1  0.0  0.37  0.53  1.0

Sr Sr Ta Cu