data_TaAg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Pt
_chemical_formula_sum   'Ta1 Ag2 Pt1'
_cell_volume   69.16
_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  0.0  1.0
  Ag  Ag0  1  0.53  0.0  0.47  1.0
  Ag  Ag1  1  0.53  0.0  0.26  1.0
  Pt  Pt2  1  0.0  0.0  0.86  1.0

data_TaAg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2Pt
_chemical_formula_sum   'Ta1 Ag2 Pt1'
_cell_volume   69.16
_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  0.0  1.0
  Ag  Ag1  1  0.53  0.0  0.26  1.0
  Ag  Ag2  1  0.53  0.0  0.47  1.0
  Pt  Pt3  1  0.0  0.0  0.86  1.0

Ta Ag Ag Pt
Ta Ag Ag Pt 0 3 o o - 0 2 o o o 0 2 - o o 1 2 o o o 2 2 o + o 2 2 + o o 