data_SrTaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaRe2
_chemical_formula_sum   'Sr1 Ta1 Re2'
_cell_volume   75.24
_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  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.87  1.0
  Re  Re0  1  0.66  0.0  0.01  1.0
  Re  Re1  1  0.66  0.0  0.74  1.0

data_SrTaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaRe2
_chemical_formula_sum   'Sr1 Ta1 Re2'
_cell_volume   75.24
_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  0.0  0.0  0.87  1.0
  Re  Re2  1  0.66  0.0  0.01  1.0
  Re  Re3  1  0.66  0.0  0.74  1.0

Sr Ta Re Re
Sr Ta Re Re 0 2 - o o 0 1 o o - 1 3 - o o 