# generated using pymatgen
data_TcMo(Ir2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49056296
_cell_length_b   5.49056257
_cell_length_c   4.35044058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.36305901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo(Ir2Ru)2
_chemical_formula_sum   'Tc1 Mo1 Ir4 Ru2'
_cell_volume   113.16108616
_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
  Tc  Tc0  1  0.66852182  0.33147818  0.25000000  1.0
  Mo  Mo1  1  0.33157022  0.66842978  0.75000000  1.0
  Ir  Ir2  1  0.16427916  0.33060180  0.25000000  1.0
  Ir  Ir3  1  0.66939820  0.83572084  0.25000000  1.0
  Ir  Ir4  1  0.83300053  0.66301473  0.75000000  1.0
  Ir  Ir5  1  0.33698527  0.16699947  0.75000000  1.0
  Ru  Ru6  1  0.16560012  0.83439988  0.25000000  1.0
  Ru  Ru7  1  0.83064467  0.16935533  0.75000000  1.0