data_TaMoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.01
_cell_angle_alpha   99.41
_cell_angle_beta   99.41
_cell_angle_gamma   33.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoPt2
_chemical_formula_sum   'Ta1 Mo1 Pt2'
_cell_volume   64.63
_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  0.26  0.0  0.38  1.0
  Mo  Mo0  1  0.65  0.0  0.83  1.0
  Pt  Pt1  1  0.44  0.0  0.83  1.0
  Pt  Pt2  1  0.79  0.0  0.3  1.0

data_TaMoPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.87
_cell_length_c   5.01
_cell_angle_alpha   99.41
_cell_angle_beta   90.0
_cell_angle_gamma   106.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoPt2
_chemical_formula_sum   'Ta1 Mo1 Pt2'
_cell_volume   64.63
_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  0.74  0.62  1.0
  Mo  Mo1  1  0.0  0.35  0.17  1.0
  Pt  Pt2  1  0.0  0.21  0.7  1.0
  Pt  Pt3  1  0.0  0.56  0.17  1.0

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