data_Ta2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.95
_cell_angle_alpha   113.24
_cell_angle_beta   113.24
_cell_angle_gamma   37.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcB
_chemical_formula_sum   'Ta2 Tc1 B1'
_cell_volume   58.68
_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  Ta1  1  0.25  0.0  0.5  1.0
  Ta  Ta2  1  0.51  0.0  0.44  1.0
  Tc  Tc3  1  0.73  0.0  0.14  1.0
  B  B0  1  0.55  0.0  0.68  1.0

data_Ta2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.62
_cell_length_c   4.95
_cell_angle_alpha   113.24
_cell_angle_beta   90.0
_cell_angle_gamma   108.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcB
_chemical_formula_sum   'Ta2 Tc1 B1'
_cell_volume   58.68
_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  0.49  0.56  1.0
  Ta  Ta1  1  0.0  0.75  0.5  1.0
  Tc  Tc2  1  0.0  0.27  0.86  1.0
  B  B3  1  0.0  0.45  0.32  1.0

Ta Ta Tc B