data_Tc2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.05
_cell_angle_alpha   102.27
_cell_angle_beta   102.27
_cell_angle_gamma   37.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnSe
_chemical_formula_sum   'Tc2 Sn1 Se1'
_cell_volume   70.91
_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  Tc2  1  0.03  0.0  0.78  1.0
  Tc  Tc3  1  0.49  0.0  0.51  1.0
  Sn  Sn1  1  0.64  0.0  0.02  1.0
  Se  Se0  1  0.05  0.0  0.99  1.0

data_Tc2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.87
_cell_length_c   5.05
_cell_angle_alpha   102.27
_cell_angle_beta   90.0
_cell_angle_gamma   108.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnSe
_chemical_formula_sum   'Tc2 Sn1 Se1'
_cell_volume   70.91
_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  0.51  0.49  1.0
  Tc  Tc1  1  0.0  0.97  0.22  1.0
  Sn  Sn2  1  0.0  0.36  0.98  1.0
  Se  Se3  1  0.0  0.95  0.01  1.0

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