data_Ta2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.06
_cell_angle_alpha   95.28
_cell_angle_beta   95.28
_cell_angle_gamma   103.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AsPt
_chemical_formula_sum   'Ta2 As1 Pt1'
_cell_volume   67.71
_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  0.26  0.12  0.51  1.0
  Ta  Ta3  1  0.26  0.88  0.51  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.98  0.0  0.0  1.0

data_Ta2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   103.21
_cell_angle_beta   95.28
_cell_angle_gamma   95.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AsPt
_chemical_formula_sum   'Ta2 As1 Pt1'
_cell_volume   67.71
_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  0.51  0.26  0.12  1.0
  Ta  Ta1  1  0.51  0.26  0.88  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.98  0.0  1.0

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