data_TcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   3.05
_cell_angle_alpha   92.86
_cell_angle_beta   92.86
_cell_angle_gamma   29.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs2
_chemical_formula_sum   'Tc1 As2'
_cell_volume   54.11
_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  Tc2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.23  0.0  0.44  1.0
  As  As1  1  0.22  0.0  0.61  1.0

data_TcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.06
_cell_length_c   6.0
_cell_angle_alpha   104.77
_cell_angle_beta   92.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs2
_chemical_formula_sum   'Tc1 As2'
_cell_volume   54.11
_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  0.0  0.0  1.0
  As  As1  1  0.39  0.0  0.78  1.0
  As  As2  1  0.56  0.0  0.77  1.0

Tc As As
Tc As As 0 2 o o - 0 2 o o o 0 1 o o - 0 1 o o o 1 2 o o o 