data_TcSeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   145.22
_cell_angle_beta   143.16
_cell_angle_gamma   51.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSeCl
_chemical_formula_sum   'Tc1 Se1 Cl1'
_cell_volume   56.78
_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  0.0  0.0  0.1  1.0
  Se  Se1  1  0.0  0.0  0.99  1.0
  Cl  Cl0  1  0.0  0.0  0.75  1.0

data_TcSeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.48
_cell_length_c   5.51
_cell_angle_alpha   108.42
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSeCl
_chemical_formula_sum   'Tc1 Se1 Cl1'
_cell_volume   56.78
_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  0.1  0.1  1.0
  Se  Se1  1  0.0  0.99  0.99  1.0
  Cl  Cl2  1  0.0  0.75  0.75  1.0

Tc Se Cl
Tc Se Cl 0 1 o o - 1 2 o o o 