data_Tc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   132.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2As
_chemical_formula_sum   'Tc4 As2'
_cell_volume   90.31
_cell_formula_units_Z   2
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  0.12  0.51  0.12  1.0
  Tc  Tc3  1  0.12  0.49  0.35  1.0
  Tc  Tc4  1  0.12  0.55  0.12  1.0
  Tc  Tc5  1  0.12  0.45  0.35  1.0
  As  As0  1  0.12  0.66  0.12  1.0
  As  As1  1  0.12  0.34  0.35  1.0

data_Tc2As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.24
_cell_length_b   4.47
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tc2As
_chemical_formula_sum   'Tc4 As2'
_cell_volume   90.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.45  0.38  0.95  1.0
  Tc  Tc1  2  0.49  0.38  0.99  1.0
  As  As2  2  0.34  0.38  0.84  1.0

Tc Tc Tc Tc As As
Tc Tc Tc Tc As As 0 2 o o o 1 3 o o o 2 4 o o o 3 5 o o o 