data_Ta2SiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.86
_cell_angle_alpha   92.24
_cell_angle_beta   92.24
_cell_angle_gamma   112.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiPt
_chemical_formula_sum   'Ta2 Si1 Pt1'
_cell_volume   64.64
_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  Ta2  1  0.28  0.95  0.43  1.0
  Ta  Ta3  1  0.28  0.05  0.43  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.76  0.0  0.0  1.0

data_Ta2SiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   112.04
_cell_angle_beta   92.24
_cell_angle_gamma   92.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiPt
_chemical_formula_sum   'Ta2 Si1 Pt1'
_cell_volume   64.64
_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  0.43  0.28  0.05  1.0
  Ta  Ta1  1  0.43  0.28  0.95  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.76  0.0  1.0

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