data_TcAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs3
_chemical_formula_sum   'Tc1 As3'
_cell_volume   67.92
_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  0.0  0.5  1.0
  As  As0  1  0.56  0.56  0.02  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.56  0.56  0.98  1.0

data_TcAs3
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.0
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TcAs3
_chemical_formula_sum   'Tc2 As6'
_cell_volume   135.84
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  2  0.5  0.0  0.0  1.0
  As  As1  4  0.02  0.0  0.56  1.0
  As  As2  2  0.0  0.0  0.0  1.0

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