data_Zr2TcSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   139.88
_cell_angle_beta   126.68
_cell_angle_gamma   68.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcSn
_chemical_formula_sum   'Zr2 Tc1 Sn1'
_cell_volume   80.56
_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  0.43  0.49  1.0
  Zr  Zr3  1  0.86  0.0  0.98  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Sn  Sn0  1  0.0  0.0  0.47  1.0

data_Zr2TcSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.86
_cell_length_c   5.41
_cell_angle_alpha   116.66
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcSn
_chemical_formula_sum   'Zr2 Tc1 Sn1'
_cell_volume   80.56
_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  0.51  0.94  0.94  1.0
  Zr  Zr1  1  0.88  0.02  0.88  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.53  0.53  0.53  1.0

Zr Zr Tc Sn
Zr Zr Tc Sn 0 1 - o - 0 2 o o o 0 3 o o o 1 2 + o + 1 3 + o + 2 3 o o o 