data_Ta2InPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   4.12
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InPt
_chemical_formula_sum   'Ta2 In1 Pt1'
_cell_volume   71.56
_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  0.97  0.0  0.21  1.0
  Ta  Ta3  1  0.0  0.06  0.21  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.97  0.06  0.0  1.0

data_Ta2InPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.12
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InPt
_chemical_formula_sum   'Ta2 In1 Pt1'
_cell_volume   71.56
_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  0.06  0.21  1.0
  Ta  Ta1  1  0.97  0.0  0.21  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.97  0.06  0.0  1.0

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