data_[Tc12Bi2O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2651]
_cell_length_b [7.2660]
_cell_length_c [16.2458]
_cell_angle_alpha [102.7778]
_cell_angle_beta [102.7283]
_cell_angle_gamma [90.0348]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tc6BiO18]
_chemical_formula_sum '[Tc12 Bi2 O36]'
_cell_volume [814.6954]
_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
[
  Tc  Tc0  1  0.0066  0.0081  0.9980  1
  Tc  Tc1  1  0.1606  0.6652  0.8341  1
  Tc  Tc2  1  0.1623  0.1650  0.8288  1
  Tc  Tc3  1  0.1644  0.6657  0.3278  1
  Tc  Tc4  1  0.3389  0.3412  0.6715  1
  Tc  Tc5  1  0.4887  0.5007  0.4977  1
  Tc  Tc6  1  0.5033  0.9826  0.9981  1
  Tc  Tc7  1  0.5231  0.0014  0.4999  1
  Tc  Tc8  1  0.6671  0.6600  0.3323  1
  Tc  Tc9  1  0.8328  0.3318  0.1688  1
  Tc  Tc10  1  0.8338  0.3470  0.6654  1
  Tc  Tc11  1  0.8341  0.8338  0.1641  1
  Bi  Bi12  1  0.0496  0.0042  0.5021  1
  Bi  Bi13  1  0.4993  0.4622  0.0017  1
  O  O14  1  0.0218  0.7750  0.9219  1
  O  O15  1  0.0237  0.1508  0.9189  1
  O  O16  1  0.0521  0.4462  0.2483  1
  O  O17  1  0.0541  0.8043  0.2498  1
  O  O18  1  0.0630  0.3012  0.6096  1
  O  O19  1  0.1542  0.9063  0.8052  1
  O  O20  1  0.1966  0.4420  0.8893  1
  O  O21  1  0.2482  0.9145  0.4204  1
  O  O22  1  0.2742  0.5274  0.4162  1
  O  O23  1  0.2751  0.0207  0.0325  1
  O  O24  1  0.3008  0.5523  0.7521  1
  O  O25  1  0.3092  0.1925  0.7492  1
  O  O26  1  0.3309  0.0887  0.5799  1
  O  O27  1  0.3629  0.4773  0.5828  1
  O  O28  1  0.4000  0.6506  0.3003  1
  O  O29  1  0.4040  0.7645  0.9150  1
  O  O30  1  0.4164  0.1792  0.9204  1
  O  O31  1  0.4839  0.2272  0.4660  1
  O  O32  1  0.5153  0.7773  0.5341  1
  O  O33  1  0.5849  0.2521  0.0788  1
  O  O34  1  0.5884  0.8451  0.0841  1
  O  O35  1  0.5997  0.3535  0.6994  1
  O  O36  1  0.6436  0.5297  0.4194  1
  O  O37  1  0.6470  0.9084  0.4131  1
  O  O38  1  0.6962  0.4429  0.2491  1
  O  O39  1  0.7021  0.7943  0.2487  1
  O  O40  1  0.7266  0.9826  0.9657  1
  O  O41  1  0.7312  0.4743  0.5797  1
  O  O42  1  0.7360  0.0950  0.5865  1
  O  O43  1  0.7967  0.5486  0.1083  1
  O  O44  1  0.8407  0.0982  0.1993  1
  O  O45  1  0.9451  0.7010  0.3877  1
  O  O46  1  0.9468  0.5572  0.7502  1
  O  O47  1  0.9527  0.2022  0.7471  1
  O  O48  1  0.9699  0.8511  0.0830  1
  O  O49  1  0.9703  0.2155  0.0832  1
]