data_TlTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   17.25
_cell_angle_beta   17.25
_cell_angle_gamma   17.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Se
_chemical_formula_sum   'Tl1 Tc2 Se1'
_cell_volume   77.07
_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  0.0  0.48  1.0
  Tc  Tc1  1  0.0  0.0  0.01  1.0
  Tc  Tc2  1  0.0  0.0  0.82  1.0
  Se  Se0  1  0.0  0.0  0.07  1.0

data_TlTc2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlTc2Se
_chemical_formula_sum   'Tl2 Tc4 Se2'
_cell_volume   154.13
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.52  1.0
  Tc  Tc1  2  -0.0  0.0  0.99  1.0
  Tc  Tc2  2  -0.0  0.0  0.18  1.0
  Se  Se3  2  -0.0  0.0  0.93  1.0

Tl Tc Tc Se