data_TaTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   24.6
_cell_angle_beta   24.6
_cell_angle_gamma   24.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2B
_chemical_formula_sum   'Ta1 Tc2 B1'
_cell_volume   55.12
_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  0.0  0.0  0.77  1.0
  Tc  Tc2  1  0.0  0.0  0.03  1.0
  Tc  Tc3  1  0.0  0.0  1.0  1.0
  B  B0  1  0.0  0.0  0.27  1.0

data_TaTc2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   104.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTc2B
_chemical_formula_sum   'Ta2 Tc4 B2'
_cell_volume   110.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.23  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.97  1.0
  B  B3  2  0.0  0.0  0.73  1.0

Ta Tc Tc B
Ta Tc Tc B 0 1 o o + 0 2 o o o 1 2 o o - 1 3 o o o 2 3 o o + 