# generated using pymatgen
data_Nb2TcP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76315880
_cell_length_b   6.40285641
_cell_length_c   7.20590406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcP2Ir
_chemical_formula_sum   'Nb4 Tc2 P4 Ir2'
_cell_volume   173.62600931
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.25000000  0.02498413  0.82958785  1.0
  Nb  Nb1  1  0.25000000  0.52498413  0.67041215  1.0
  Nb  Nb2  1  0.75000000  0.97861454  0.17061463  1.0
  Nb  Nb3  1  0.75000000  0.47861454  0.32938537  1.0
  Tc  Tc4  1  0.25000000  0.14033844  0.44232369  1.0
  Tc  Tc5  1  0.25000000  0.64033844  0.05767631  1.0
  P  P6  1  0.25000000  0.77334756  0.36851533  1.0
  P  P7  1  0.25000000  0.27334756  0.13148467  1.0
  P  P8  1  0.75000000  0.23333621  0.61818338  1.0
  P  P9  1  0.75000000  0.73333621  0.88181662  1.0
  Ir  Ir10  1  0.75000000  0.84937912  0.56829127  1.0
  Ir  Ir11  1  0.75000000  0.34937912  0.93170873  1.0