data_TaB2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2Pt
_chemical_formula_sum   'Ta1 B2 Pt1'
_cell_volume   47.68
_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  0.17  1.0
  B  B0  1  0.62  0.0  0.78  1.0
  B  B1  1  0.0  0.0  0.08  1.0
  Pt  Pt2  1  0.62  0.0  0.53  1.0

data_TaB2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2Pt
_chemical_formula_sum   'Ta1 B2 Pt1'
_cell_volume   47.68
_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  0.0  0.17  1.0
  B  B1  1  0.0  0.0  0.08  1.0
  B  B2  1  0.62  0.0  0.78  1.0
  Pt  Pt3  1  0.62  0.0  0.53  1.0

Ta B B Pt