data_Tc2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2TeSe
_chemical_formula_sum   'Tc2 Te1 Se1'
_cell_volume   73.21
_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  Tc1  1  0.57  0.0  0.92  1.0
  Tc  Tc2  1  0.57  0.0  0.47  1.0
  Te  Te3  1  0.0  0.0  0.2  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Tc2TeSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.19
_cell_length_b   5.46
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2TeSe
_chemical_formula_sum   'Tc4 Te2 Se2'
_cell_volume   146.45
_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
  Tc  Tc0  2  0.43  0.0  0.08  1.0
  Tc  Tc1  2  0.43  0.0  0.53  1.0
  Te  Te2  2  0.0  0.0  0.8  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Tc Tc Te Se