data_TlTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   154.59
_cell_angle_beta   147.44
_cell_angle_gamma   41.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcAs2
_chemical_formula_sum   'Tl1 Tc1 As2'
_cell_volume   84.61
_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
  Tl  Tl3  1  0.0  0.01  0.56  1.0
  Tc  Tc2  1  0.0  0.0  0.25  1.0
  As  As0  1  0.0  0.0  0.18  1.0
  As  As1  1  0.57  0.0  0.38  1.0

data_TlTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.02
_cell_length_c   7.16
_cell_angle_alpha   106.28
_cell_angle_beta   102.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcAs2
_chemical_formula_sum   'Tl1 Tc1 As2'
_cell_volume   84.61
_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
  Tl  Tl0  1  0.99  0.56  0.56  1.0
  Tc  Tc1  1  0.0  0.25  0.25  1.0
  As  As2  1  0.0  0.18  0.18  1.0
  As  As3  1  0.0  0.38  0.81  1.0

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