data_TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs
_chemical_formula_sum   'Tc4 As4'
_cell_volume   132.09
_cell_formula_units_Z   4
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  Tc4  1  0.26  0.31  0.65  1.0
  Tc  Tc5  1  0.0  0.61  0.37  1.0
  Tc  Tc6  1  0.0  0.61  0.79  1.0
  Tc  Tc7  1  0.26  0.31  0.07  1.0
  As  As0  1  0.0  0.0  0.86  1.0
  As  As1  1  0.0  0.0  0.58  1.0
  As  As2  1  0.26  0.31  0.58  1.0
  As  As3  1  0.0  0.61  0.86  1.0

data_TcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAs
_chemical_formula_sum   'Tc4 As4'
_cell_volume   132.09
_cell_formula_units_Z   4
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  0.61  0.37  1.0
  Tc  Tc1  1  -0.0  0.61  0.79  1.0
  Tc  Tc2  1  0.26  0.31  0.07  1.0
  Tc  Tc3  1  0.26  0.31  0.65  1.0
  As  As4  1  -0.0  0.61  0.86  1.0
  As  As5  1  0.0  0.0  0.58  1.0
  As  As6  1  0.0  0.0  0.86  1.0
  As  As7  1  0.26  0.31  0.58  1.0

Tc Tc Tc Tc As As As As
Tc Tc Tc Tc As As As As 0 6 o o o 0 1 o o o 0 4 o o o 0 5 o o o 1 6 o + o 1 6 o o o 1 5 o + o 1 5 o o o 1 3 o o o 1 2 o o o 2 7 o o o 2 4 o + o 3 4 o o - 4 7 o - o 4 5 o o o 5 6 o o o 