data_Zr2TcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   146.09
_cell_angle_beta   135.47
_cell_angle_gamma   57.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcTe
_chemical_formula_sum   'Zr2 Tc1 Te1'
_cell_volume   81.73
_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
  Zr  Zr2  1  0.0  0.0  0.4  1.0
  Zr  Zr3  1  0.0  0.25  0.33  1.0
  Tc  Tc0  1  0.0  0.0  0.21  1.0
  Te  Te1  1  0.73  0.0  0.96  1.0

data_Zr2TcTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.51
_cell_length_c   5.95
_cell_angle_alpha   112.26
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcTe
_chemical_formula_sum   'Zr2 Tc1 Te1'
_cell_volume   81.73
_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
  Zr  Zr0  1  0.0  0.4  0.4  1.0
  Zr  Zr1  1  0.75  0.07  0.07  1.0
  Tc  Tc2  1  0.0  0.21  0.21  1.0
  Te  Te3  1  0.0  0.96  0.23  1.0

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