data_TcB2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2As
_chemical_formula_sum   'Tc1 B2 As1'
_cell_volume   46.69
_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
  Tc  Tc3  1  0.0  0.54  0.47  1.0
  B  B1  1  0.54  0.0  0.47  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.54  0.54  0.0  1.0

data_TcB2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcB2As
_chemical_formula_sum   'Tc1 B2 As1'
_cell_volume   46.69
_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
  Tc  Tc0  1  0.0  0.54  0.47  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.54  0.0  0.47  1.0
  As  As3  1  0.54  0.54  0.0  1.0

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