data_Y2ZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   39.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnTc
_chemical_formula_sum   'Y2 Zn1 Tc1'
_cell_volume   90.93
_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  Y1  1  0.0  0.0  0.72  1.0
  Y  Y2  1  0.18  0.0  0.58  1.0
  Zn  Zn3  1  0.0  0.0  0.01  1.0
  Tc  Tc0  1  0.18  0.0  0.46  1.0

data_Y2ZnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.36
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   109.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnTc
_chemical_formula_sum   'Y2 Zn1 Tc1'
_cell_volume   90.93
_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  0.28  0.0  0.28  1.0
  Y  Y1  1  0.42  0.18  0.42  1.0
  Zn  Zn2  1  0.99  0.0  0.99  1.0
  Tc  Tc3  1  0.54  0.18  0.54  1.0

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