data_[Tb6Ce1Pm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.9450]
_cell_length_b [9.0993]
_cell_length_c [10.0958]
_cell_angle_alpha [104.9910]
_cell_angle_beta [102.2492]
_cell_angle_gamma [117.5765]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb6CePm12]
_chemical_formula_sum '[Tb6 Ce1 Pm12]'
_cell_volume [648.5764]
_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
[
  Tb  Tb0  2  0.1225  0.3979  0.5451  1
  Tb  Tb1  2  0.2441  0.8312  0.1590  1
  Tb  Tb2  2  0.4239  0.2610  0.6761  1
  Ce  Ce3  1  0.0000  0.0000  0.0000  1
  Pm  Pm4  2  0.0248  0.9679  0.3354  1
  Pm  Pm5  2  0.0696  0.4255  0.2068  1
  Pm  Pm6  2  0.2859  0.4878  0.9386  1
  Pm  Pm7  2  0.3220  0.9559  0.8602  1
  Pm  Pm8  2  0.3261  0.8235  0.5128  1
  Pm  Pm9  2  0.4039  0.3076  0.3049  1
]