data_[Pm12Tc6Ge36Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tc  1.9000  1.3500  0.7417
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5465]
_cell_length_b [7.5465]
_cell_length_c [27.6140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2TcGe6Ir]
_chemical_formula_sum '[Pm12 Tc6 Ge36 Ir6]'
_cell_volume [1361.9262]
_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
[
  Pm  Pm0  6  0.0000  0.0000  0.1364  1
  Pm  Pm1  6  0.0000  0.0000  0.2868  1
  Tc  Tc2  3  -0.0000  -0.0000  0.5000  1
  Tc  Tc3  3  0.0000  0.0000  0.0000  1
  Ge  Ge4  18  0.0135  0.5068  0.1172  1
  Ge  Ge5  18  0.0310  0.5155  0.7196  1
  Ir  Ir6  6  0.0000  0.0000  0.3916  1
]