data_Y3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Tc
_chemical_formula_sum   'Y6 Tc2'
_cell_volume   201.85
_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  Y2  1  0.86  0.92  0.78  1.0
  Y  Y3  1  0.51  0.21  0.78  1.0
  Y  Y4  1  0.86  0.08  0.26  1.0
  Y  Y5  1  0.15  0.92  0.78  1.0
  Y  Y6  1  0.51  0.79  0.26  1.0
  Y  Y7  1  0.15  0.08  0.26  1.0
  Tc  Tc0  1  0.51  0.16  0.26  1.0
  Tc  Tc1  1  0.51  0.84  0.78  1.0

data_Y3Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.03
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   116.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Tc
_chemical_formula_sum   'Y6 Tc2'
_cell_volume   201.85
_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  0.24  0.14  0.08  1.0
  Y  Y1  2  0.24  0.5  0.79  1.0
  Y  Y2  2  0.24  0.86  0.08  1.0
  Tc  Tc3  2  0.24  0.5  0.16  1.0

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