data_ZrZn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.02
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   32.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Tc
_chemical_formula_sum   'Zr1 Zn2 Tc1'
_cell_volume   65.34
_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  Zr3  1  0.3  0.0  0.5  1.0
  Zn  Zn1  1  0.57  0.0  0.02  1.0
  Zn  Zn2  1  0.87  0.0  0.14  1.0
  Tc  Tc0  1  0.78  0.0  0.73  1.0

data_ZrZn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.99
_cell_length_c   5.02
_cell_angle_alpha   100.58
_cell_angle_beta   90.0
_cell_angle_gamma   106.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Tc
_chemical_formula_sum   'Zr1 Zn2 Tc1'
_cell_volume   65.34
_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  0.7  0.5  1.0
  Zn  Zn1  1  0.0  0.13  0.86  1.0
  Zn  Zn2  1  0.0  0.43  0.98  1.0
  Tc  Tc3  1  0.0  0.22  0.27  1.0

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