data_TaGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePt2
_chemical_formula_sum   'Ta1 Ge1 Pt2'
_cell_volume   65.98
_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  0.37  0.24  0.49  1.0
  Ge  Ge0  1  0.95  0.0  0.98  1.0
  Pt  Pt1  1  0.99  0.24  0.06  1.0
  Pt  Pt2  1  0.76  0.0  0.49  1.0

data_TaGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePt2
_chemical_formula_sum   'Ta1 Ge1 Pt2'
_cell_volume   65.98
_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  0.37  0.24  0.49  1.0
  Ge  Ge1  1  0.95  0.0  0.98  1.0
  Pt  Pt2  1  0.76  0.0  0.49  1.0
  Pt  Pt3  1  0.99  0.24  0.06  1.0

Ta Ge Pt Pt
Ta Ge Pt Pt 0 3 o o o 1 2 o o + 