# generated using pymatgen
data_Zr18Nb5(TcO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74910377
_cell_length_b   8.68526052
_cell_length_c   8.57788861
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.67390640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr18Nb5(TcO2)3
_chemical_formula_sum   'Zr18 Nb5 Tc3 O6'
_cell_volume   560.61929227
_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  0.45520897  0.90790333  0.25000000  1.0
  Zr  Zr1  1  0.54642432  0.09315561  0.75000000  1.0
  Zr  Zr2  1  0.09169298  0.54513889  0.25000000  1.0
  Zr  Zr3  1  0.90839389  0.45566066  0.75000000  1.0
  Zr  Zr4  1  0.45534057  0.54637433  0.25000000  1.0
  Zr  Zr5  1  0.54662901  0.45616979  0.75000000  1.0
  Zr  Zr6  1  0.20831322  0.41527371  0.56048068  1.0
  Zr  Zr7  1  0.79326550  0.58615487  0.43872043  1.0
  Zr  Zr8  1  0.58663066  0.79322600  0.56057663  1.0
  Zr  Zr9  1  0.79326550  0.58615487  0.06127957  1.0
  Zr  Zr10  1  0.41571112  0.20834800  0.43795753  1.0
  Zr  Zr11  1  0.20831322  0.41527371  0.93951932  1.0
  Zr  Zr12  1  0.20774147  0.79343390  0.56067466  1.0
  Zr  Zr13  1  0.41571112  0.20834800  0.06204247  1.0
  Zr  Zr14  1  0.79533435  0.20556961  0.43761836  1.0
  Zr  Zr15  1  0.58663066  0.79322600  0.93942337  1.0
  Zr  Zr16  1  0.79533435  0.20556961  0.06238164  1.0
  Zr  Zr17  1  0.20774147  0.79343390  0.93932534  1.0
  Nb  Nb18  1  0.21854965  0.10418526  0.75000000  1.0
  Nb  Nb19  1  0.10904488  0.89202948  0.25000000  1.0
  Nb  Nb20  1  0.88610064  0.10555971  0.75000000  1.0
  Nb  Nb21  1  0.99573877  0.99884582  0.00462470  1.0
  Nb  Nb22  1  0.99573877  0.99884582  0.49537530  1.0
  Tc  Tc23  1  0.11012828  0.22552860  0.25000000  1.0
  Tc  Tc24  1  0.88651775  0.77374152  0.75000000  1.0
  Tc  Tc25  1  0.77581216  0.89057010  0.25000000  1.0
  O  O26  1  0.50158227  0.99950236  0.00113786  1.0
  O  O27  1  0.99903238  0.49981307  0.00027217  1.0
  O  O28  1  0.50158227  0.99950236  0.49886214  1.0
  O  O29  1  0.50172872  0.50182503  0.00120002  1.0
  O  O30  1  0.99903238  0.49981307  0.49972783  1.0
  O  O31  1  0.50172872  0.50182503  0.49879998  1.0