data_TaRePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.54
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRePt2
_chemical_formula_sum   'Ta1 Re1 Pt2'
_cell_volume   62.86
_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
  Ta  Ta3  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.0  0.27  0.71  1.0
  Pt  Pt0  1  0.39  0.27  0.16  1.0
  Pt  Pt1  1  0.39  0.0  0.51  1.0

data_TaRePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.54
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRePt2
_chemical_formula_sum   'Ta1 Re1 Pt2'
_cell_volume   62.86
_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
  Ta  Ta0  1  0.0  0.0  0.07  1.0
  Re  Re1  1  0.0  0.27  0.71  1.0
  Pt  Pt2  1  0.39  0.0  0.51  1.0
  Pt  Pt3  1  0.39  0.27  0.16  1.0

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