data_TcPbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   3.66
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   116.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPbSe2
_chemical_formula_sum   'Tc1 Pb1 Se2'
_cell_volume   91.31
_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  Tc3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.35  0.0  0.42  1.0
  Se  Se1  1  0.64  0.83  0.81  1.0
  Se  Se2  1  0.06  0.83  0.03  1.0

data_TcPbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.16
_cell_length_c   5.42
_cell_angle_alpha   116.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPbSe2
_chemical_formula_sum   'Tc1 Pb1 Se2'
_cell_volume   91.31
_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
  Pb  Pb1  1  0.0  0.65  0.58  1.0
  Se  Se2  1  0.17  0.36  0.19  1.0
  Se  Se3  1  0.17  0.94  0.97  1.0

Tc Pb Se Se
Tc Pb Se Se 0 3 o - o 0 1 o o o 0 2 - - - 1 3 o - o 1 2 o - o 2 3 + o + 