data_[Er18Tc6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7888]
_cell_length_b [9.7888]
_cell_length_c [9.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er3TcO6]
_chemical_formula_sum '[Er18 Tc6 O36]'
_cell_volume [783.7649]
_cell_formula_units_Z [6]
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
[
  Er  Er0  18  0.0481  0.2695  0.6655  1
  Tc  Tc1  3  0.0000  0.0000  0.0000  1
  Tc  Tc2  3  0.0000  0.0000  0.5000  1
  O  O3  18  0.0315  0.2093  0.4008  1
  O  O4  18  0.0429  0.2022  0.8939  1
]