data_ZrTc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   145.23
_cell_angle_beta   128.26
_cell_angle_gamma   63.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Ru
_chemical_formula_sum   'Zr1 Tc2 Ru1'
_cell_volume   64.27
_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  0.43  1.0
  Tc  Tc1  1  0.0  0.0  0.06  1.0
  Tc  Tc2  1  0.57  0.0  0.16  1.0
  Ru  Ru0  1  0.0  0.29  0.27  1.0

data_ZrTc2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.59
_cell_length_c   5.26
_cell_angle_alpha   115.87
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Ru
_chemical_formula_sum   'Zr1 Tc2 Ru1'
_cell_volume   64.27
_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  0.43  0.43  1.0
  Tc  Tc1  1  0.0  0.06  0.06  1.0
  Tc  Tc2  1  0.0  0.16  0.59  1.0
  Ru  Ru3  1  0.71  0.97  0.97  1.0

Zr Tc Tc Ru