data_YReTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   146.25
_cell_angle_beta   129.02
_cell_angle_gamma   62.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReTc2
_chemical_formula_sum   'Y1 Re1 Tc2'
_cell_volume   68.8
_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  0.65  1.0
  Re  Re0  1  0.0  0.34  0.51  1.0
  Tc  Tc1  1  0.0  0.0  0.28  1.0
  Tc  Tc2  1  0.58  0.0  0.17  1.0

data_YReTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.68
_cell_length_c   5.44
_cell_angle_alpha   115.49
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReTc2
_chemical_formula_sum   'Y1 Re1 Tc2'
_cell_volume   68.8
_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  Y0  1  0.35  0.35  0.35  1.0
  Tc  Tc1  1  0.41  0.83  0.41  1.0
  Re  Re2  1  0.49  0.83  0.83  1.0
  Tc  Tc3  1  0.72  0.72  0.72  1.0

Y Re Tc Tc
Y Re Tc Tc 0 3 - o o 0 2 o o o 1 2 o o o 1 3 - o o 2 3 - o o 