data_YTcCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcCl2
_chemical_formula_sum   'Y1 Tc1 Cl2'
_cell_volume   87.99
_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
  Y  Y3  1  0.0  0.0  0.27  1.0
  Tc  Tc2  1  0.61  0.61  0.13  1.0
  Cl  Cl0  1  0.61  0.61  0.01  1.0
  Cl  Cl1  1  0.0  0.0  0.91  1.0

data_YTcCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTcCl2
_chemical_formula_sum   'Y2 Tc2 Cl4'
_cell_volume   175.98
_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
  Y  Y0  2  0.0  0.0  0.27  1.0
  Tc  Tc1  2  0.11  0.5  0.13  1.0
  Cl  Cl2  2  0.0  0.0  0.91  1.0
  Cl  Cl3  2  0.11  0.5  0.01  1.0

Y Tc Cl Cl
Y Tc Cl Cl 0 1 - - o 0 1 - o o 0 1 o - o 1 2 o o o 2 3 + + - 2 3 + o - 2 3 o + - 