data_ZrTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.86
_cell_angle_alpha   99.74
_cell_angle_beta   99.74
_cell_angle_gamma   33.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcIr2
_chemical_formula_sum   'Zr1 Tc1 Ir2'
_cell_volume   64.25
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.28  0.0  0.39  1.0
  Ir  Ir0  1  0.88  0.0  0.28  1.0
  Ir  Ir1  1  0.68  0.0  0.49  1.0

data_ZrTcIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.86
_cell_length_c   4.92
_cell_angle_alpha   99.74
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcIr2
_chemical_formula_sum   'Zr1 Tc1 Ir2'
_cell_volume   64.25
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.39  0.28  1.0
  Ir  Ir2  1  0.0  0.28  0.88  1.0
  Ir  Ir3  1  0.0  0.49  0.68  1.0

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