data_TaBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   145.52
_cell_angle_beta   128.5
_cell_angle_gamma   63.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBPt2
_chemical_formula_sum   'Ta1 B1 Pt2'
_cell_volume   55.2
_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  0.26  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.49  0.0  0.7  1.0
  Pt  Pt2  1  0.0  0.18  0.57  1.0

data_TaBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.36
_cell_length_c   5.01
_cell_angle_alpha   115.75
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBPt2
_chemical_formula_sum   'Ta1 B1 Pt2'
_cell_volume   55.2
_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  0.74  0.74  0.74  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.43  0.61  0.61  1.0
  Pt  Pt3  1  0.79  0.3  0.79  1.0

Ta B Pt Pt