data_Y2ZrTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   146.51
_cell_angle_beta   129.29
_cell_angle_gamma   62.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrTc
_chemical_formula_sum   'Y2 Zr1 Tc1'
_cell_volume   98.25
_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  0.85  1.0
  Y  Y2  1  0.0  0.63  0.67  1.0
  Zr  Zr3  1  0.0  0.0  0.55  1.0
  Tc  Tc0  1  0.77  0.0  0.47  1.0

data_Y2ZrTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.27
_cell_length_c   6.15
_cell_angle_alpha   115.35
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrTc
_chemical_formula_sum   'Y2 Zr1 Tc1'
_cell_volume   98.25
_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  0.15  0.15  0.15  1.0
  Y  Y1  1  0.33  0.97  0.97  1.0
  Zr  Zr2  1  0.45  0.45  0.45  1.0
  Tc  Tc3  1  0.3  0.53  0.3  1.0

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