data_ScTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Re
_chemical_formula_sum   'Sc1 Ta2 Re1'
_cell_volume   73.14
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.63  0.0  0.56  1.0
  Ta  Ta3  1  0.63  0.0  0.86  1.0
  Re  Re0  1  0.0  0.0  0.71  1.0

data_ScTa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Re
_chemical_formula_sum   'Sc1 Ta2 Re1'
_cell_volume   73.14
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.63  0.0  0.56  1.0
  Ta  Ta2  1  0.63  0.0  0.86  1.0
  Re  Re3  1  0.0  0.0  0.71  1.0

Sc Ta Ta Re