data_Y2TcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   132.21
_cell_angle_beta   123.45
_cell_angle_gamma   77.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcTe
_chemical_formula_sum   'Y2 Tc1 Te1'
_cell_volume   93.77
_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  Y2  1  0.0  0.55  0.33  1.0
  Y  Y3  1  0.18  0.0  0.88  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.21  1.0

data_Y2TcTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   5.1
_cell_length_c   5.39
_cell_angle_alpha   118.27
_cell_angle_beta   113.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcTe
_chemical_formula_sum   'Y2 Tc1 Te1'
_cell_volume   93.77
_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  0.3  0.12  0.3  1.0
  Y  Y1  1  0.67  0.22  0.22  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.79  0.79  0.79  1.0

Y Y Tc Te
Y Y Tc Te 0 2 o o o 0 1 o + o 1 2 o o + 2 3 o o o 