data_YTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc3
_chemical_formula_sum   'Y2 Tc6'
_cell_volume   153.89
_cell_formula_units_Z   2
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  Y6  1  0.23  0.87  0.19  1.0
  Y  Y7  1  0.0  0.73  0.06  1.0
  Tc  Tc0  1  0.0  0.52  0.19  1.0
  Tc  Tc1  1  0.23  0.08  0.06  1.0
  Tc  Tc2  1  0.92  0.84  0.19  1.0
  Tc  Tc3  1  0.31  0.76  0.06  1.0
  Tc  Tc4  1  0.08  0.84  0.19  1.0
  Tc  Tc5  1  0.15  0.76  0.06  1.0

data_YTc3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.25
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YTc3
_chemical_formula_sum   'Y2 Tc6'
_cell_volume   153.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Y0  2  0.06  0.12  0.57  1.0
  Tc  Tc1  2  0.06  0.8  0.54  1.0
  Tc  Tc2  2  0.06  0.88  0.22  1.0
  Tc  Tc3  2  0.06  0.97  0.54  1.0

Y Y Tc Tc Tc Tc Tc Tc
Y Y Tc Tc Tc Tc Tc Tc 0 7 o o o 0 6 o o o 0 3 o + o 0 5 o o o 1 7 o o o 1 6 o o o 1 2 o o o 1 4 - o o 2 7 o o o 3 6 o - o 4 6 + o o 5 7 o o o 6 7 o o o 