data_TcSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   153.43
_cell_angle_beta   142.81
_cell_angle_gamma   46.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnSb2
_chemical_formula_sum   'Tc1 Sn1 Sb2'
_cell_volume   94.5
_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
  Sn  Sn2  1  0.0  0.0  0.48  1.0
  Sb  Sb0  1  0.0  0.25  0.17  1.0
  Sb  Sb1  1  0.62  0.0  0.31  1.0

data_TcSnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.5
_cell_length_c   7.05
_cell_angle_alpha   108.6
_cell_angle_beta   103.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnSb2
_chemical_formula_sum   'Tc1 Sn1 Sb2'
_cell_volume   94.5
_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
  Sn  Sn1  1  0.0  0.48  0.48  1.0
  Sb  Sb2  1  0.0  0.31  0.69  1.0
  Sb  Sb3  1  0.75  0.93  0.93  1.0

Tc Sn Sb Sb
Tc Sn Sb Sb 0 2 o o o 1 3 - o o 