data_TcSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   141.48
_cell_angle_beta   124.79
_cell_angle_gamma   69.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2Se
_chemical_formula_sum   'Tc1 Sn2 Se1'
_cell_volume   82.03
_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  0.49  1.0
  Sn  Sn1  1  0.0  0.53  0.19  1.0
  Sn  Sn2  1  0.8  0.0  0.31  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_TcSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.06
_cell_length_c   5.46
_cell_angle_alpha   117.6
_cell_angle_beta   109.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSn2Se
_chemical_formula_sum   'Tc1 Sn2 Se1'
_cell_volume   82.03
_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  0.49  0.49  1.0
  Sn  Sn1  1  0.0  0.31  0.5  1.0
  Sn  Sn2  1  0.47  0.66  0.66  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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